3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide

C9H13N3O2 — CID 131015419

IUPAC3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(N)=O)c(=O)c1C
InChIInChI=1S/C9H13N3O2/c1-6-7(2)11-5-12(9(6)14)4-3-8(10)13/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyCZJXWBSOBADQCV-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.26
Rot. Bonds3

About 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide

3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 131015419) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID131015419
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(N)=O)c(=O)c1C
InChIInChI=1S/C9H13N3O2/c1-6-7(2)11-5-12(9(6)14)4-3-8(10)13/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyCZJXWBSOBADQCV-UHFFFAOYSA-N
XLogP-0.26
TPSA77.98 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 ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
5-iodo-6-methyl-3-(3-oxobutyl)pyrimidin-4-one
CID 66341570
3-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46691610
5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one
CID 126996184
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121011
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120714
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66308140
5,6-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidin-4-one
CID 86792598
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide
CID 146022988
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide (CID 131015419) is 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide is Cc1ncn(CCC(N)=O)c(=O)c1C.
What is the InChIKey of 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is CZJXWBSOBADQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(2)11-5-12(9(6)14)4-3-8(10)13/h5H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide?
3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 195.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 131015419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).