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

C16H20N4O4 — CID 167885804

IUPAC2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CN(C(=O)[C@H]2CCCO2)C1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H20N4O4/c21-13-6-11(18-14(19-13)9-3-4-9)15(22)17-10-7-20(8-10)16(23)12-2-1-5-24-12/h6,9-10,12H,1-5,7-8H2,(H,17,22)(H,18,19,21)/t12-/m1/s1
InChIKeyHMUKNYGIERRORX-GFCCVEGCSA-N
MW332.36 g/mol
LogP-0.23
Rot. Bonds4

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

2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 167885804) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
PubChem CID167885804
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CN(C(=O)[C@H]2CCCO2)C1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H20N4O4/c21-13-6-11(18-14(19-13)9-3-4-9)15(22)17-10-7-20(8-10)16(23)12-2-1-5-24-12/h6,9-10,12H,1-5,7-8H2,(H,17,22)(H,18,19,21)/t12-/m1/s1
InChIKeyHMUKNYGIERRORX-GFCCVEGCSA-N
XLogP-0.23
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 155963764
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
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-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869775
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
2-morpholin-4-yl-4-[1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136765876
2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821061
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
N-(1-cyclobutylpyrazol-4-yl)-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 154867542
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide (CID 167885804) is 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide is O=C(NC1CN(C(=O)[C@H]2CCCO2)C1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is HMUKNYGIERRORX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-13-6-11(18-14(19-13)9-3-4-9)15(22)17-10-7-20(8-10)16(23)12-2-1-5-24-12/h6,9-10,12H,1-5,7-8H2,(H,17,22)(H,18,19,21)/t12-/m1/s1.
What are the key properties of 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 167885804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).