2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide

C9H13ClN4O — CID 116795069

IUPAC2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4O/c1-5(2)7(11)8(15)13-6-3-4-12-9(10)14-6/h3-5,7H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyJHSWIIRGDRCQBB-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.05
Rot. Bonds3

About 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide

2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide (PubChem CID 116795069) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
PubChem CID116795069
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4O/c1-5(2)7(11)8(15)13-6-3-4-12-9(10)14-6/h3-5,7H,11H2,1-2H3,(H,12,13,14,15)
InChIKeyJHSWIIRGDRCQBB-UHFFFAOYSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide
CID 116795128
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497
2-amino-N-(2-chloropyrimidin-4-yl)pent-4-ynamide
CID 116794976
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
CID 22689866
(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813269
4-amino-N-(2-chloropyrimidin-4-yl)butanamide
CID 116795070
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide (CID 116795069) is 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide?
The InChIKey is JHSWIIRGDRCQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-5(2)7(11)8(15)13-6-3-4-12-9(10)14-6/h3-5,7H,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide?
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide has a molecular weight of 228.68 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide is sourced from PubChem (CID 116795069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).