2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C17H22N4O4 — CID 155963764

IUPAC2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(C)COC1C(=O)N1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C17H22N4O4/c1-17(2)8-25-13(17)16(24)21-6-10(7-21)18-15(23)11-5-12(22)20-14(19-11)9-3-4-9/h5,9-10,13H,3-4,6-8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyPKHJVNBQEPIJMY-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.01
Rot. Bonds4

About 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 155963764) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID155963764
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(C)COC1C(=O)N1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C17H22N4O4/c1-17(2)8-25-13(17)16(24)21-6-10(7-21)18-15(23)11-5-12(22)20-14(19-11)9-3-4-9/h5,9-10,13H,3-4,6-8H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyPKHJVNBQEPIJMY-UHFFFAOYSA-N
XLogP0.01
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 167885804
N-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)azetidin-3-yl]cyclopropanecarboxamide
CID 154865325
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533
2-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 138004659
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
4-[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 154867937
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869775
2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 166481475
2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138004806
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 155963764) is 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide is CC1(C)COC1C(=O)N1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is PKHJVNBQEPIJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-17(2)8-25-13(17)16(24)21-6-10(7-21)18-15(23)11-5-12(22)20-14(19-11)9-3-4-9/h5,9-10,13H,3-4,6-8H2,1-2H3,(H,18,23)(H,19,20,22).
What are the key properties of 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 155963764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).