4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine

C71H83F4N33 — CID 158892532

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccc(F)cn2)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccccn2)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ncc(F)cc2F)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ncc(F)cn2)n1
InChIInChI=1S/C18H20F2N8.C18H21FN8.C18H22N8.C17H20FN9/c1-3-14-23-17(22-9(2)16-12(20)6-11(19)8-21-16)26-18(24-14)25-15-7-13(27-28-15)10-4-5-10;1-3-15-22-17(21-10(2)13-7-6-12(19)9-20-13)25-18(23-15)24-16-8-14(26-27-16)11-4-5-11;1-3-15-21-17(20-11(2)13-6-4-5-9-19-13)24-18(22-15)23-16-10-14(25-26-16)12-7-8-12;1-3-13-22-16(21-9(2)15-19-7-11(18)8-20-15)25-17(23-13)24-14-6-12(26-27-14)10-4-5-10/h6-10H,3-5H2,1-2H3,(H3,22,23,24,25,26,27,28);6-11H,3-5H2,1-2H3,(H3,21,22,23,24,25,26,27);4-6,9-12H,3,7-8H2,1-2H3,(H3,20,21,22,23,24,25,26);6-10H,3-5H2,1-2H3,(H3,21,22,23,24,25,26,27)
InChIKeyJEKNBBSUUSENSJ-UHFFFAOYSA-N
MW1474.67 g/mol
LogP13.34
Rot. Bonds28

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 158892532) has the molecular formula C71H83F4N33 and a molecular weight of 1474.67 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID158892532
Molecular FormulaC71H83F4N33
Molecular Weight1474.67 g/mol
Exact Mass1473.74
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccc(F)cn2)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccccn2)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ncc(F)cc2F)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ncc(F)cn2)n1
InChIInChI=1S/C18H20F2N8.C18H21FN8.C18H22N8.C17H20FN9/c1-3-14-23-17(22-9(2)16-12(20)6-11(19)8-21-16)26-18(24-14)25-15-7-13(27-28-15)10-4-5-10;1-3-15-22-17(21-10(2)13-7-6-12(19)9-20-13)25-18(23-15)24-16-8-14(26-27-16)11-4-5-11;1-3-15-21-17(20-11(2)13-6-4-5-9-19-13)24-18(22-15)23-16-10-14(25-26-16)12-7-8-12;1-3-13-22-16(21-9(2)15-19-7-11(18)8-20-15)25-17(23-13)24-14-6-12(26-27-14)10-4-5-10/h6-10H,3-5H2,1-2H3,(H3,22,23,24,25,26,27,28);6-11H,3-5H2,1-2H3,(H3,21,22,23,24,25,26,27);4-6,9-12H,3,7-8H2,1-2H3,(H3,20,21,22,23,24,25,26);6-10H,3-5H2,1-2H3,(H3,21,22,23,24,25,26,27)
InChIKeyJEKNBBSUUSENSJ-UHFFFAOYSA-N
XLogP13.34
TPSA430.09 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001474.67
LogP ≤ 513.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(S)-5-Fluoro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
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Lunbotinib
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2-[6-[6-[[6-(5-fluoro-1H-pyrrol-2-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 154684866
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 42603031
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 68908345
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine
CID 87151742
N-[1-[2-ethenyl-1-[4-piperidin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-2-yl]pyrrolidin-3-yl]-4-methylpyridin-1-ium-2-yl]-2-(1-methylpyrazol-4-yl)-6-piperidin-4-ylpyrimidin-4-amine
CID 123880165
N-[3-[2-[1-[[2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(propan-2-ylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137246347
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine
CID 137351448
N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[[4-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl]piperazin-1-yl]methyl]pyrazolo[3,4-b]pyridin-3-amine
CID 142858431
ethane;2-(1-methylpyrazol-4-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine;6-piperidin-4-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740159
2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
CID 145035331

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine (CID 158892532) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine is CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccc(F)cn2)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccccn2)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ncc(F)cc2F)n1.CCc1nc(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ncc(F)cn2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JEKNBBSUUSENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N8.C18H21FN8.C18H22N8.C17H20FN9/c1-3-14-23-17(22-9(2)16-12(20)6-11(19)8-21-16)26-18(24-14)25-15-7-13(27-28-15)10-4-5-10;1-3-15-22-17(21-10(2)13-7-6-12(19)9-20-13)25-18(23-15)24-16-8-14(26-27-16)11-4-5-11;1-3-15-21-17(20-11(2)13-6-4-5-9-19-13)24-18(22-15)23-16-10-14(25-26-16)12-7-8-12;1-3-13-22-16(21-9(2)15-19-7-11(18)8-20-15)25-17(23-13)24-14-6-12(26-27-14)10-4-5-10/h6-10H,3-5H2,1-2H3,(H3,22,23,24,25,26,27,28);6-11H,3-5H2,1-2H3,(H3,21,22,23,24,25,26,27);4-6,9-12H,3,7-8H2,1-2H3,(H3,20,21,22,23,24,25,26);6-10H,3-5H2,1-2H3,(H3,21,22,23,24,25,26,27).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1474.67 g/mol, XLogP of 13.34, 28 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-ethyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethyl-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158892532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).