2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

C38H39ClF6N12O2 — CID 158107081

IUPAC2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC1COCCN1.CC1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1.FC(F)(F)c1ncccc1CNc1nc(Cl)nc2ncccc12
InChIInChI=1S/C19H19F3N6O.C14H9ClF3N5.C5H11NO/c1-12-11-29-9-8-28(12)18-26-16-14(5-3-7-24-16)17(27-18)25-10-13-4-2-6-23-15(13)19(20,21)22;15-13-22-11-9(4-2-6-20-11)12(23-13)21-7-8-3-1-5-19-10(8)14(16,17)18;1-5-4-7-3-2-6-5/h2-7,12H,8-11H2,1H3,(H,24,25,26,27);1-6H,7H2,(H,20,21,22,23);5-6H,2-4H2,1H3
InChIKeyFPYUNEXFHGQRSD-UHFFFAOYSA-N
MW845.25 g/mol
LogP6.97
Rot. Bonds7

About 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158107081) has the molecular formula C38H39ClF6N12O2 and a molecular weight of 845.25 g/mol. Its IUPAC name is 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID158107081
Molecular FormulaC38H39ClF6N12O2
Molecular Weight845.25 g/mol
Exact Mass844.29
IUPAC Name2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCC1COCCN1.CC1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1.FC(F)(F)c1ncccc1CNc1nc(Cl)nc2ncccc12
InChIInChI=1S/C19H19F3N6O.C14H9ClF3N5.C5H11NO/c1-12-11-29-9-8-28(12)18-26-16-14(5-3-7-24-16)17(27-18)25-10-13-4-2-6-23-15(13)19(20,21)22;15-13-22-11-9(4-2-6-20-11)12(23-13)21-7-8-3-1-5-19-10(8)14(16,17)18;1-5-4-7-3-2-6-5/h2-7,12H,8-11H2,1H3,(H,24,25,26,27);1-6H,7H2,(H,20,21,22,23);5-6H,2-4H2,1H3
InChIKeyFPYUNEXFHGQRSD-UHFFFAOYSA-N
XLogP6.97
TPSA160.91 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.25
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

Buparlisib
CID 16654980
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328
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-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030387
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332
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
7-(6-Morpholin-4-yl-pyridin-3-yl)-5-(tetrahydro-pyran-4-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381587
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 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 158107081) is 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is CC1COCCN1.CC1COCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1.FC(F)(F)c1ncccc1CNc1nc(Cl)nc2ncccc12.
What is the InChIKey of 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FPYUNEXFHGQRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O.C14H9ClF3N5.C5H11NO/c1-12-11-29-9-8-28(12)18-26-16-14(5-3-7-24-16)17(27-18)25-10-13-4-2-6-23-15(13)19(20,21)22;15-13-22-11-9(4-2-6-20-11)12(23-13)21-7-8-3-1-5-19-10(8)14(16,17)18;1-5-4-7-3-2-6-5/h2-7,12H,8-11H2,1H3,(H,24,25,26,27);1-6H,7H2,(H,20,21,22,23);5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 845.25 g/mol, XLogP of 6.97, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158107081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).