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

C67H71F4N29 — CID 157208808

IUPAC6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cn1.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccccn1.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ncc(F)cc1F.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ncc(F)cn1
InChIInChI=1S/C17H17F2N7.C17H18FN7.C17H19N7.C16H17FN8/c1-9(17-12(19)4-11(18)7-20-17)23-14-6-15(22-8-21-14)24-16-5-13(25-26-16)10-2-3-10;1-10(13-5-4-12(18)8-19-13)22-15-7-16(21-9-20-15)23-17-6-14(24-25-17)11-2-3-11;1-11(13-4-2-3-7-18-13)21-15-9-16(20-10-19-15)22-17-8-14(23-24-17)12-5-6-12;1-9(16-18-6-11(17)7-19-16)22-13-5-14(21-8-20-13)23-15-4-12(24-25-15)10-2-3-10/h4-10H,2-3H2,1H3,(H3,21,22,23,24,25,26);4-11H,2-3H2,1H3,(H3,20,21,22,23,24,25);2-4,7-12H,5-6H2,1H3,(H3,19,20,21,22,23,24);4-10H,2-3H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyARQQVUSPJJZKKD-UHFFFAOYSA-N
MW1358.50 g/mol
LogP13.51
Rot. Bonds24

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

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 157208808) has the molecular formula C67H71F4N29 and a molecular weight of 1358.50 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID157208808
Molecular FormulaC67H71F4N29
Molecular Weight1358.50 g/mol
Exact Mass1357.64
IUPAC Name6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cn1.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccccn1.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ncc(F)cc1F.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ncc(F)cn1
InChIInChI=1S/C17H17F2N7.C17H18FN7.C17H19N7.C16H17FN8/c1-9(17-12(19)4-11(18)7-20-17)23-14-6-15(22-8-21-14)24-16-5-13(25-26-16)10-2-3-10;1-10(13-5-4-12(18)8-19-13)22-15-7-16(21-9-20-15)23-17-6-14(24-25-17)11-2-3-11;1-11(13-4-2-3-7-18-13)21-15-9-16(20-10-19-15)22-17-8-14(23-24-17)12-5-6-12;1-9(16-18-6-11(17)7-19-16)22-13-5-14(21-8-20-13)23-15-4-12(24-25-15)10-2-3-10/h4-10H,2-3H2,1H3,(H3,21,22,23,24,25,26);4-11H,2-3H2,1H3,(H3,20,21,22,23,24,25);2-4,7-12H,5-6H2,1H3,(H3,19,20,21,22,23,24);4-10H,2-3H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyARQQVUSPJJZKKD-UHFFFAOYSA-N
XLogP13.51
TPSA378.53 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001358.50
LogP ≤ 513.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
CID 24949552
Lunbotinib
CID 146013180
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 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 157208808) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine is CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cn1.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccccn1.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ncc(F)cc1F.CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ncc(F)cn1.
What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is ARQQVUSPJJZKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7.C17H18FN7.C17H19N7.C16H17FN8/c1-9(17-12(19)4-11(18)7-20-17)23-14-6-15(22-8-21-14)24-16-5-13(25-26-16)10-2-3-10;1-10(13-5-4-12(18)8-19-13)22-15-7-16(21-9-20-15)23-17-6-14(24-25-17)11-2-3-11;1-11(13-4-2-3-7-18-13)21-15-9-16(20-10-19-15)22-17-8-14(23-24-17)12-5-6-12;1-9(16-18-6-11(17)7-19-16)22-13-5-14(21-8-20-13)23-15-4-12(24-25-15)10-2-3-10/h4-10H,2-3H2,1H3,(H3,21,22,23,24,25,26);4-11H,2-3H2,1H3,(H3,20,21,22,23,24,25);2-4,7-12H,5-6H2,1H3,(H3,19,20,21,22,23,24);4-10H,2-3H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 1358.50 g/mol, XLogP of 13.51, 24 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 157208808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).