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

C12H15N3O3 — CID 154865352

IUPAC2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O3/c16-10-5-9(14-11(15-10)7-1-2-7)12(17)13-8-3-4-18-6-8/h5,7-8H,1-4,6H2,(H,13,17)(H,14,15,16)/t8-/m1/s1
InChIKeyWRIFZELLFDPUSB-MRVPVSSYSA-N
MW249.27 g/mol
LogP0.17
Rot. Bonds3

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

2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 154865352) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide
PubChem CID154865352
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O3/c16-10-5-9(14-11(15-10)7-1-2-7)12(17)13-8-3-4-18-6-8/h5,7-8H,1-4,6H2,(H,13,17)(H,14,15,16)/t8-/m1/s1
InChIKeyWRIFZELLFDPUSB-MRVPVSSYSA-N
XLogP0.17
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide (CID 154865352) is 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide is O=C(N[C@@H]1CCOC1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is WRIFZELLFDPUSB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-10-5-9(14-11(15-10)7-1-2-7)12(17)13-8-3-4-18-6-8/h5,7-8H,1-4,6H2,(H,13,17)(H,14,15,16)/t8-/m1/s1.
What are the key properties of 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[(3R)-oxolan-3-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154865352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).