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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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).