2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide

C11H17ClN4O2 — CID 114052886

IUPAC2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-4-6(2)9(13)10(17)16-11-14-7(12)5-8(15-11)18-3/h5-6,9H,4,13H2,1-3H3,(H,14,15,16,17)
InChIKeyYNSAJJHDBUBEMU-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.45
Rot. Bonds5

About 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide

2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide (PubChem CID 114052886) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
PubChem CID114052886
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-4-6(2)9(13)10(17)16-11-14-7(12)5-8(15-11)18-3/h5-6,9H,4,13H2,1-3H3,(H,14,15,16,17)
InChIKeyYNSAJJHDBUBEMU-UHFFFAOYSA-N
XLogP1.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
CID 106114275
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide
CID 114052896
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
CID 114052879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide (CID 114052886) is 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1nc(Cl)cc(OC)n1.
What is the InChIKey of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide?
The InChIKey is YNSAJJHDBUBEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-4-6(2)9(13)10(17)16-11-14-7(12)5-8(15-11)18-3/h5-6,9H,4,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide?
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide has a molecular weight of 272.74 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide is sourced from PubChem (CID 114052886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).