2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide

C8H11ClN4O2 — CID 136974772

IUPAC2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN4O2/c1-4(7(14)10-2)13-6-5(9)8(15)12-3-11-6/h3-4H,1-2H3,(H,10,14)(H2,11,12,13,15)
InChIKeyAFRGBUPJHRAJNV-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.03
Rot. Bonds3

About 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 136974772) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID136974772
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN4O2/c1-4(7(14)10-2)13-6-5(9)8(15)12-3-11-6/h3-4H,1-2H3,(H,10,14)(H2,11,12,13,15)
InChIKeyAFRGBUPJHRAJNV-UHFFFAOYSA-N
XLogP-0.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697583
5-chloro-4-(1-methylsulfanylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136977064
5-chloro-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847969
5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one
CID 137263738
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
CID 136977293
5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
CID 136978882
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 137016633
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 63730144
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide (CID 136974772) is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is AFRGBUPJHRAJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-4(7(14)10-2)13-6-5(9)8(15)12-3-11-6/h3-4H,1-2H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 230.66 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 136974772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).