(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide

C11H17ClN4O2 — CID 114052893

IUPAC(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-4-5-7(13)10(17)16-11-14-8(12)6-9(15-11)18-2/h6-7H,3-5,13H2,1-2H3,(H,14,15,16,17)/t7-/m0/s1
InChIKeyHHVQCIUSEITYOS-ZETCQYMHSA-N
MW272.74 g/mol
LogP1.59
Rot. Bonds6

About (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide

(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide (PubChem CID 114052893) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
PubChem CID114052893
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-4-5-7(13)10(17)16-11-14-8(12)6-9(15-11)18-2/h6-7H,3-5,13H2,1-2H3,(H,14,15,16,17)/t7-/m0/s1
InChIKeyHHVQCIUSEITYOS-ZETCQYMHSA-N
XLogP1.59
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide
CID 114052896
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
CID 106114275
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide (CID 114052893) is (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide is CCCC[C@H](N)C(=O)Nc1nc(Cl)cc(OC)n1.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
The InChIKey is HHVQCIUSEITYOS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-3-4-5-7(13)10(17)16-11-14-8(12)6-9(15-11)18-2/h6-7H,3-5,13H2,1-2H3,(H,14,15,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide has a molecular weight of 272.74 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide is sourced from PubChem (CID 114052893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).