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

C14H17N3O3 — CID 167941195

IUPAC2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC[C@@]12COC[C@@H]1C2)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3O3/c18-11-3-10(16-12(17-11)8-1-2-8)13(19)15-6-14-4-9(14)5-20-7-14/h3,8-9H,1-2,4-7H2,(H,15,19)(H,16,17,18)/t9-,14-/m0/s1
InChIKeyHQOHAENNBKOTSE-XPTSAGLGSA-N
MW275.31 g/mol
LogP0.41
Rot. Bonds4

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

2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 167941195) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID167941195
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC[C@@]12COC[C@@H]1C2)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3O3/c18-11-3-10(16-12(17-11)8-1-2-8)13(19)15-6-14-4-9(14)5-20-7-14/h3,8-9H,1-2,4-7H2,(H,15,19)(H,16,17,18)/t9-,14-/m0/s1
InChIKeyHQOHAENNBKOTSE-XPTSAGLGSA-N
XLogP0.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

4-[(cyclopropylamino)methyl]-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274260
2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154847437
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 167941195) is 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NC[C@@]12COC[C@@H]1C2)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HQOHAENNBKOTSE-XPTSAGLGSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-11-3-10(16-12(17-11)8-1-2-8)13(19)15-6-14-4-9(14)5-20-7-14/h3,8-9H,1-2,4-7H2,(H,15,19)(H,16,17,18)/t9-,14-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 167941195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).