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

C17H23ClN4O — CID 159037755

IUPAC(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
SMILESCCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cnccc12
InChIInChI=1S/C17H23ClN4O/c1-4-5-8-17(3,9-6-12(2)23)22-15-13-7-10-19-11-14(13)20-16(18)21-15/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,21,22)/t17-/m1/s1
InChIKeyMSQKZKDILUUTLL-QGZVFWFLSA-N
MW334.85 g/mol
LogP4.41
Rot. Bonds8

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

(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one (PubChem CID 159037755) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
PubChem CID159037755
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
SMILESCCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cnccc12
InChIInChI=1S/C17H23ClN4O/c1-4-5-8-17(3,9-6-12(2)23)22-15-13-7-10-19-11-14(13)20-16(18)21-15/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,21,22)/t17-/m1/s1
InChIKeyMSQKZKDILUUTLL-QGZVFWFLSA-N
XLogP4.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
CID 157159263
3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 137350738
(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
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 161453106
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(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;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 160992644
N-[2-[(2-aminoquinazolin-4-yl)amino]-2-methylhexyl]acetamide
CID 134305634
(2R)-2-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptanoic acid
CID 155182983
(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 159990858
(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol
CID 122585247
(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
2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
The IUPAC name of (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one (CID 159037755) is (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one.
What is the SMILES notation for (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
The canonical SMILES for (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one is CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cnccc12.
What is the InChIKey of (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
The InChIKey is MSQKZKDILUUTLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-4-5-8-17(3,9-6-12(2)23)22-15-13-7-10-19-11-14(13)20-16(18)21-15/h7,10-11H,4-6,8-9H2,1-3H3,(H,20,21,22)/t17-/m1/s1.
What are the key properties of (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one?
(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one has a molecular weight of 334.85 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one is sourced from PubChem (CID 159037755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).