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

C9H13N3O2 — CID 130485295

IUPACN-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
SMILESCNC(=O)CCn1ccc(C)nc1=O
InChIInChI=1S/C9H13N3O2/c1-7-3-5-12(9(14)11-7)6-4-8(13)10-2/h3,5H,4,6H2,1-2H3,(H,10,13)
InChIKeyNLDOVZGRHKRIJL-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.31
Rot. Bonds3

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

N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 130485295) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID130485295
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
SMILESCNC(=O)CCn1ccc(C)nc1=O
InChIInChI=1S/C9H13N3O2/c1-7-3-5-12(9(14)11-7)6-4-8(13)10-2/h3,5H,4,6H2,1-2H3,(H,10,13)
InChIKeyNLDOVZGRHKRIJL-UHFFFAOYSA-N
XLogP-0.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethenylimino-N-ethylbut-3-enamide
CID 170583189
4-Methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 114217404
3-(2-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 116618385
N-ethyl-3-(2-oxopyrimidin-1-yl)propanamide
CID 116618410
N-methyl-3-(2-oxopyrimidin-1-yl)propanamide
CID 116618411
2-Amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide
CID 130485199
3-(4-Methyl-2-oxopyrimidin-1-yl)propanehydrazide
CID 130485274
N-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
CID 130571190

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide (CID 130485295) is N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide is CNC(=O)CCn1ccc(C)nc1=O.
What is the InChIKey of N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is NLDOVZGRHKRIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-3-5-12(9(14)11-7)6-4-8(13)10-2/h3,5H,4,6H2,1-2H3,(H,10,13).
What are the key properties of N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide?
N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 195.22 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 130485295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).