6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C63H82F9N17O — CID 144740142

IUPAC6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESC/C=C(\C)N1CCCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(C(C)C)n2)C1.CCCCC(CCN)c1cc(Nc2cc(C(F)(F)F)ccn2)nc(N2CCOCC2)n1.C[C@@H]1CCCN1c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCNCC2)n1
InChIInChI=1S/C22H28F3N5.C21H29F3N6O.C20H25F3N6/c1-5-15(4)30-10-6-7-16(13-30)18-12-20(29-21(27-18)14(2)3)28-19-11-17(8-9-26-19)22(23,24)25;1-2-3-4-15(5-7-25)17-14-19(29-20(27-17)30-9-11-31-12-10-30)28-18-13-16(6-8-26-18)21(22,23)24;1-13-3-2-10-29(13)19-26-16(14-4-7-24-8-5-14)12-18(28-19)27-17-11-15(6-9-25-17)20(21,22)23/h5,8-9,11-12,14,16H,6-7,10,13H2,1-4H3,(H,26,27,28,29);6,8,13-15H,2-5,7,9-12,25H2,1H3,(H,26,27,28,29);6,9,11-14,24H,2-5,7-8,10H2,1H3,(H,25,26,27,28)/b15-5+;;/t;;13-/m..1/s1
InChIKeySYJJECGWQSIPPG-GNHWNDDMSA-N
MW1264.45 g/mol
LogP14.04
Rot. Bonds18

About 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 144740142) has the molecular formula C63H82F9N17O and a molecular weight of 1264.45 g/mol. Its IUPAC name is 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID144740142
Molecular FormulaC63H82F9N17O
Molecular Weight1264.45 g/mol
Exact Mass1263.67
IUPAC Name6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESC/C=C(\C)N1CCCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(C(C)C)n2)C1.CCCCC(CCN)c1cc(Nc2cc(C(F)(F)F)ccn2)nc(N2CCOCC2)n1.C[C@@H]1CCCN1c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCNCC2)n1
InChIInChI=1S/C22H28F3N5.C21H29F3N6O.C20H25F3N6/c1-5-15(4)30-10-6-7-16(13-30)18-12-20(29-21(27-18)14(2)3)28-19-11-17(8-9-26-19)22(23,24)25;1-2-3-4-15(5-7-25)17-14-19(29-20(27-17)30-9-11-31-12-10-30)28-18-13-16(6-8-26-18)21(22,23)24;1-13-3-2-10-29(13)19-26-16(14-4-7-24-8-5-14)12-18(28-19)27-17-11-15(6-9-25-17)20(21,22)23/h5,8-9,11-12,14,16H,6-7,10,13H2,1-4H3,(H,26,27,28,29);6,8,13-15H,2-5,7,9-12,25H2,1H3,(H,26,27,28,29);6,9,11-14,24H,2-5,7-8,10H2,1H3,(H,25,26,27,28)/b15-5+;;/t;;13-/m..1/s1
InChIKeySYJJECGWQSIPPG-GNHWNDDMSA-N
XLogP14.04
TPSA209.10 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001264.45
LogP ≤ 514.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

Buparlisib
CID 16654980
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030387
2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783403
2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
5-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-amine
CID 24889937
5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381588
5-Cyclohexyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381604

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 144740142) is 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is C/C=C(\C)N1CCCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(C(C)C)n2)C1.CCCCC(CCN)c1cc(Nc2cc(C(F)(F)F)ccn2)nc(N2CCOCC2)n1.C[C@@H]1CCCN1c1nc(Nc2cc(C(F)(F)F)ccn2)cc(C2CCNCC2)n1.
What is the InChIKey of 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is SYJJECGWQSIPPG-GNHWNDDMSA-N. The full InChI is InChI=1S/C22H28F3N5.C21H29F3N6O.C20H25F3N6/c1-5-15(4)30-10-6-7-16(13-30)18-12-20(29-21(27-18)14(2)3)28-19-11-17(8-9-26-19)22(23,24)25;1-2-3-4-15(5-7-25)17-14-19(29-20(27-17)30-9-11-31-12-10-30)28-18-13-16(6-8-26-18)21(22,23)24;1-13-3-2-10-29(13)19-26-16(14-4-7-24-8-5-14)12-18(28-19)27-17-11-15(6-9-25-17)20(21,22)23/h5,8-9,11-12,14,16H,6-7,10,13H2,1-4H3,(H,26,27,28,29);6,8,13-15H,2-5,7,9-12,25H2,1H3,(H,26,27,28,29);6,9,11-14,24H,2-5,7-8,10H2,1H3,(H,25,26,27,28)/b15-5+;;/t;;13-/m..1/s1.
What are the key properties of 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 1264.45 g/mol, XLogP of 14.04, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoheptan-3-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;6-[1-[(E)-but-2-en-2-yl]piperidin-3-yl]-2-propan-2-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 144740142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).