(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one

C26H35N5O3 — CID 158486047

IUPAC(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
SMILESCCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12
InChIInChI=1S/C26H35N5O3/c1-6-7-13-26(3,14-12-18(2)32)31-24-23-21(9-8-15-27-23)29-25(30-24)28-17-19-10-11-20(33-4)16-22(19)34-5/h8-11,15-16H,6-7,12-14,17H2,1-5H3,(H2,28,29,30,31)/t26-/m1/s1
InChIKeyBUWNTOHJGFNGKO-AREMUKBSSA-N
MW465.60 g/mol
LogP5.38
Rot. Bonds13

About (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one

(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one (PubChem CID 158486047) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one.

Molecular Properties

Compound Name(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
PubChem CID158486047
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
SMILESCCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12
InChIInChI=1S/C26H35N5O3/c1-6-7-13-26(3,14-12-18(2)32)31-24-23-21(9-8-15-27-23)29-25(30-24)28-17-19-10-11-20(33-4)16-22(19)34-5/h8-11,15-16H,6-7,12-14,17H2,1-5H3,(H2,28,29,30,31)/t26-/m1/s1
InChIKeyBUWNTOHJGFNGKO-AREMUKBSSA-N
XLogP5.38
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one with MolForge

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Related Compounds

tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-methyloctanoate
CID 163945113
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-(1-methylpyrrole-2-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 167632181
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
CID 134305708
methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoate
CID 122585007
2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
CID 175935294
(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid
CID 167614323
4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598710
(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol
CID 122585386
(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
CID 157159263
4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-[(2,4-dimethoxyphenyl)methylamino]-1,5-naphthyridine-3-carboxylic acid
CID 162680472
4-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-2,4-diamine
CID 175885835

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?
The IUPAC name of (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one (CID 158486047) is (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one.
What is the SMILES notation for (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?
The canonical SMILES for (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one is CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.
What is the InChIKey of (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?
The InChIKey is BUWNTOHJGFNGKO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-6-7-13-26(3,14-12-18(2)32)31-24-23-21(9-8-15-27-23)29-25(30-24)28-17-19-10-11-20(33-4)16-22(19)34-5/h8-11,15-16H,6-7,12-14,17H2,1-5H3,(H2,28,29,30,31)/t26-/m1/s1.
What are the key properties of (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one?
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one has a molecular weight of 465.60 g/mol, XLogP of 5.38, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one is sourced from PubChem (CID 158486047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).