4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one

C22H31N7O2 — CID 178072054

IUPAC4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3cc[nH]c(=O)c3CN(C)C)cnc12
InChIInChI=1S/C22H31N7O2/c1-5-6-8-22(2,13-30)28-19-18-17(26-21(23)27-19)10-14(11-25-18)15-7-9-24-20(31)16(15)12-29(3)4/h7,9-11,30H,5-6,8,12-13H2,1-4H3,(H,24,31)(H3,23,26,27,28)/t22-/m1/s1
InChIKeyIOUSGSIRWJPLAH-JOCHJYFZSA-N
MW425.54 g/mol
LogP2.38
Rot. Bonds9

About 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one

4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one (PubChem CID 178072054) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one
PubChem CID178072054
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Name4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3cc[nH]c(=O)c3CN(C)C)cnc12
InChIInChI=1S/C22H31N7O2/c1-5-6-8-22(2,13-30)28-19-18-17(26-21(23)27-19)10-14(11-25-18)15-7-9-24-20(31)16(15)12-29(3)4/h7,9-11,30H,5-6,8,12-13H2,1-4H3,(H,24,31)(H3,23,26,27,28)/t22-/m1/s1
InChIKeyIOUSGSIRWJPLAH-JOCHJYFZSA-N
XLogP2.38
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 122585081
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-5-[[but-3-enyl(propan-2-yl)amino]methyl]-1H-pyridin-2-one
CID 176755016
(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 178073861
2-[[2-amino-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146293364
[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
CID 166010273
(2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol
CID 169156285
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
CID 160852198
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 159451509
(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
CID 162680433
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
2-amino-N,N-dimethyl-4-[[(2R)-2-methyl-1-[[(2S)-pyrrolidine-2-carbonyl]amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010358

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one (CID 178072054) is 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one is CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3cc[nH]c(=O)c3CN(C)C)cnc12.
What is the InChIKey of 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one?
The InChIKey is IOUSGSIRWJPLAH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-5-6-8-22(2,13-30)28-19-18-17(26-21(23)27-19)10-14(11-25-18)15-7-9-24-20(31)16(15)12-29(3)4/h7,9-11,30H,5-6,8,12-13H2,1-4H3,(H,24,31)(H3,23,26,27,28)/t22-/m1/s1.
What are the key properties of 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one?
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one has a molecular weight of 425.54 g/mol, XLogP of 2.38, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 178072054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).