3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide

C12H17N5O3 — CID 146022988

IUPAC3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide
SMILESCc1ncn(CC(=O)NC2CN(C(N)=O)C2)c(=O)c1C
InChIInChI=1S/C12H17N5O3/c1-7-8(2)14-6-17(11(7)19)5-10(18)15-9-3-16(4-9)12(13)20/h6,9H,3-5H2,1-2H3,(H2,13,20)(H,15,18)
InChIKeyJKICSBYGRKKCPA-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.26
Rot. Bonds3

About 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide

3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide (PubChem CID 146022988) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide
PubChem CID146022988
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide
SMILESCc1ncn(CC(=O)NC2CN(C(N)=O)C2)c(=O)c1C
InChIInChI=1S/C12H17N5O3/c1-7-8(2)14-6-17(11(7)19)5-10(18)15-9-3-16(4-9)12(13)20/h6,9H,3-5H2,1-2H3,(H2,13,20)(H,15,18)
InChIKeyJKICSBYGRKKCPA-UHFFFAOYSA-N
XLogP-1.26
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide
CID 131015419
2-(4,5-dimethylimidazol-1-yl)acetohydrazide
CID 63577093
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121011
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
3-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 45395953
5,6-dimethyl-3-[2-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-4-one
CID 90616087
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546186
5,6-dimethyl-3-[2-oxo-2-[(3S)-3-phenylazepan-1-yl]ethyl]pyrimidin-4-one
CID 129354905
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544343

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide?
The IUPAC name of 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide (CID 146022988) is 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide.
What is the SMILES notation for 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide?
The canonical SMILES for 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide is Cc1ncn(CC(=O)NC2CN(C(N)=O)C2)c(=O)c1C.
What is the InChIKey of 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide?
The InChIKey is JKICSBYGRKKCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-7-8(2)14-6-17(11(7)19)5-10(18)15-9-3-16(4-9)12(13)20/h6,9H,3-5H2,1-2H3,(H2,13,20)(H,15,18).
What are the key properties of 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide?
3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]azetidine-1-carboxamide is sourced from PubChem (CID 146022988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).