2-[(2-chloropyrimidin-4-yl)amino]propanamide

C7H9ClN4O — CID 62343252

IUPAC2-[(2-chloropyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1ccnc(Cl)n1)C(N)=O
InChIInChI=1S/C7H9ClN4O/c1-4(6(9)13)11-5-2-3-10-7(8)12-5/h2-4H,1H3,(H2,9,13)(H,10,11,12)
InChIKeySENPVGZXDNDGOH-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.42
Rot. Bonds3

About 2-[(2-chloropyrimidin-4-yl)amino]propanamide

2-[(2-chloropyrimidin-4-yl)amino]propanamide (PubChem CID 62343252) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]propanamide
PubChem CID62343252
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1ccnc(Cl)n1)C(N)=O
InChIInChI=1S/C7H9ClN4O/c1-4(6(9)13)11-5-2-3-10-7(8)12-5/h2-4H,1H3,(H2,9,13)(H,10,11,12)
InChIKeySENPVGZXDNDGOH-UHFFFAOYSA-N
XLogP0.42
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
2-[(6-chloro-2-pyridinyl)amino]propanamide
CID 63587646
methyl (2R)-2-[(2-chloropyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 129353760
(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine
CID 130469662
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
2-[(6-amino-2-pyridinyl)amino]propanamide
CID 80647728
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
(2R)-2-(pyrazin-2-ylamino)propanamide
CID 93037330

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]propanamide (CID 62343252) is 2-[(2-chloropyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]propanamide is CC(Nc1ccnc(Cl)n1)C(N)=O.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]propanamide?
The InChIKey is SENPVGZXDNDGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-4(6(9)13)11-5-2-3-10-7(8)12-5/h2-4H,1H3,(H2,9,13)(H,10,11,12).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]propanamide?
2-[(2-chloropyrimidin-4-yl)amino]propanamide has a molecular weight of 200.63 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 62343252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).