2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide

C8H12N4O2 — CID 130485199

IUPAC2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1ccn(CC(N)C(N)=O)c(=O)n1
InChIInChI=1S/C8H12N4O2/c1-5-2-3-12(8(14)11-5)4-6(9)7(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13)
InChIKeyDOHACTRSKSUZRN-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.64
Rot. Bonds3

About 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide

2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 130485199) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID130485199
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1ccn(CC(N)C(N)=O)c(=O)n1
InChIInChI=1S/C8H12N4O2/c1-5-2-3-12(8(14)11-5)4-6(9)7(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13)
InChIKeyDOHACTRSKSUZRN-UHFFFAOYSA-N
XLogP-1.64
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 81941419
2-Amino-3-(2-oxopyrimidin-1-yl)propanamide
CID 81941447
4-Methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 114217404
1-(2-Aminopropyl)-4-methylpyrimidin-2-one
CID 130485220
N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
CID 130485295

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide (CID 130485199) is 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide is Cc1ccn(CC(N)C(N)=O)c(=O)n1.
What is the InChIKey of 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is DOHACTRSKSUZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-2-3-12(8(14)11-5)4-6(9)7(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13).
What are the key properties of 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 196.21 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 130485199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).