2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide

C9H13ClN4O2 — CID 116795128

IUPAC2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4O2/c1-16-5-3-6(11)8(15)13-7-2-4-12-9(10)14-7/h2,4,6H,3,5,11H2,1H3,(H,12,13,14,15)
InChIKeyDJZUZAIFGNXLFV-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.43
Rot. Bonds5

About 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide

2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide (PubChem CID 116795128) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide
PubChem CID116795128
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4O2/c1-16-5-3-6(11)8(15)13-7-2-4-12-9(10)14-7/h2,4,6H,3,5,11H2,1H3,(H,12,13,14,15)
InChIKeyDJZUZAIFGNXLFV-UHFFFAOYSA-N
XLogP0.43
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
CID 81080952
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide
CID 81102079
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62473394
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide (CID 116795128) is 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide?
The InChIKey is DJZUZAIFGNXLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-16-5-3-6(11)8(15)13-7-2-4-12-9(10)14-7/h2,4,6H,3,5,11H2,1H3,(H,12,13,14,15).
What are the key properties of 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide?
2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide has a molecular weight of 244.68 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide is sourced from PubChem (CID 116795128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).