N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide

C12H16N4O2 — CID 171326478

IUPACN-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide
SMILESCn1cnc(N2CC(C(=O)NC3CC3)C2)cc1=O
InChIInChI=1S/C12H16N4O2/c1-15-7-13-10(4-11(15)17)16-5-8(6-16)12(18)14-9-2-3-9/h4,7-9H,2-3,5-6H2,1H3,(H,14,18)
InChIKeyCOZZQFRWUJPOHU-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.50
Rot. Bonds3

About N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide

N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 171326478) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID171326478
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide
SMILESCn1cnc(N2CC(C(=O)NC3CC3)C2)cc1=O
InChIInChI=1S/C12H16N4O2/c1-15-7-13-10(4-11(15)17)16-5-8(6-16)12(18)14-9-2-3-9/h4,7-9H,2-3,5-6H2,1H3,(H,14,18)
InChIKeyCOZZQFRWUJPOHU-UHFFFAOYSA-N
XLogP-0.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one
CID 166600731
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
CID 171999304
N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168450
N-cyclopropyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 171328002
N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
CID 171328605
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115576
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 166603024
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071
ethyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 121169098
N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
CID 166601039
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide (CID 171326478) is N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide is Cn1cnc(N2CC(C(=O)NC3CC3)C2)cc1=O.
What is the InChIKey of N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is COZZQFRWUJPOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15-7-13-10(4-11(15)17)16-5-8(6-16)12(18)14-9-2-3-9/h4,7-9H,2-3,5-6H2,1H3,(H,14,18).
What are the key properties of N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide?
N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 171326478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).