2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C14H17N3O3 — CID 154869775

IUPAC2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3O3/c18-12-6-10(15-13(17-12)7-1-2-7)14(19)16-9-5-8-3-4-11(9)20-8/h6-9,11H,1-5H2,(H,16,19)(H,15,17,18)/t8-,9+,11+/m0/s1
InChIKeyISDBAWFPYYBUCU-IQJOONFLSA-N
MW275.31 g/mol
LogP0.70
Rot. Bonds3

About 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154869775) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154869775
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H17N3O3/c18-12-6-10(15-13(17-12)7-1-2-7)14(19)16-9-5-8-3-4-11(9)20-8/h6-9,11H,1-5H2,(H,16,19)(H,15,17,18)/t8-,9+,11+/m0/s1
InChIKeyISDBAWFPYYBUCU-IQJOONFLSA-N
XLogP0.70
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrrole-2-carboxamide
CID 80602113
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 98792947
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533
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
6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxamide
CID 80731683
4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
CID 80732802
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
3,5-diamino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716270
2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 155963764

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 154869775) is 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ISDBAWFPYYBUCU-IQJOONFLSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-12-6-10(15-13(17-12)7-1-2-7)14(19)16-9-5-8-3-4-11(9)20-8/h6-9,11H,1-5H2,(H,16,19)(H,15,17,18)/t8-,9+,11+/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.70, 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,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154869775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).