(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol

C15H21ClN4O — CID 122585247

IUPAC(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol
SMILESCCCC[C@](C)(Nc1nc(Cl)nc2cccnc12)C(C)O
InChIInChI=1S/C15H21ClN4O/c1-4-5-8-15(3,10(2)21)20-13-12-11(7-6-9-17-12)18-14(16)19-13/h6-7,9-10,21H,4-5,8H2,1-3H3,(H,18,19,20)/t10?,15-/m0/s1
InChIKeyIUGLZTZZTYJZCS-WRXSAAJRSA-N
MW308.81 g/mol
LogP3.42
Rot. Bonds6

About (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol

(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol (PubChem CID 122585247) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol.

Molecular Properties

Compound Name(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol
PubChem CID122585247
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol
SMILESCCCC[C@](C)(Nc1nc(Cl)nc2cccnc12)C(C)O
InChIInChI=1S/C15H21ClN4O/c1-4-5-8-15(3,10(2)21)20-13-12-11(7-6-9-17-12)18-14(16)19-13/h6-7,9-10,21H,4-5,8H2,1-3H3,(H,18,19,20)/t10?,15-/m0/s1
InChIKeyIUGLZTZZTYJZCS-WRXSAAJRSA-N
XLogP3.42
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptanoic acid
CID 155182983
N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
CID 155102646
(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
CID 157159263
(2R,3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol
CID 122585001
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
methyl (2R)-2-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexanoate
CID 122585045
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
CID 122585253
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
(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
N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 155116977

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol?
The IUPAC name of (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol (CID 122585247) is (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol.
What is the SMILES notation for (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol?
The canonical SMILES for (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol is CCCC[C@](C)(Nc1nc(Cl)nc2cccnc12)C(C)O.
What is the InChIKey of (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol?
The InChIKey is IUGLZTZZTYJZCS-WRXSAAJRSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-4-5-8-15(3,10(2)21)20-13-12-11(7-6-9-17-12)18-14(16)19-13/h6-7,9-10,21H,4-5,8H2,1-3H3,(H,18,19,20)/t10?,15-/m0/s1.
What are the key properties of (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol?
(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol has a molecular weight of 308.81 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol is sourced from PubChem (CID 122585247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).