2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C13H15N3O3 — CID 154865335

IUPAC2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1[C@H]2COC[C@@H]12)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H15N3O3/c17-10-3-9(14-12(15-10)6-1-2-6)13(18)16-11-7-4-19-5-8(7)11/h3,6-8,11H,1-2,4-5H2,(H,16,18)(H,14,15,17)/t7-,8+,11?
InChIKeyUSQZTUQQSNJMGD-OQJHAAMPSA-N
MW261.28 g/mol
LogP0.02
Rot. Bonds3

About 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154865335) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154865335
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1[C@H]2COC[C@@H]12)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H15N3O3/c17-10-3-9(14-12(15-10)6-1-2-6)13(18)16-11-7-4-19-5-8(7)11/h3,6-8,11H,1-2,4-5H2,(H,16,18)(H,14,15,17)/t7-,8+,11?
InChIKeyUSQZTUQQSNJMGD-OQJHAAMPSA-N
XLogP0.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 154865335) is 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NC1[C@H]2COC[C@@H]12)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is USQZTUQQSNJMGD-OQJHAAMPSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-10-3-9(14-12(15-10)6-1-2-6)13(18)16-11-7-4-19-5-8(7)11/h3,6-8,11H,1-2,4-5H2,(H,16,18)(H,14,15,17)/t7-,8+,11?.
What are the key properties of 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154865335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).