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

C13H17N3O4 — CID 91764354

IUPAC2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H17N3O4/c17-10-6-20-4-3-9(10)15-12(18)8-5-14-11(7-1-2-7)16-13(8)19/h5,7,9-10,17H,1-4,6H2,(H,15,18)(H,14,16,19)/t9-,10-/m1/s1
InChIKeyFHHDGZDZYAEYDW-NXEZZACHSA-N
MW279.30 g/mol
LogP-0.47
Rot. Bonds3

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

2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 91764354) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID91764354
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H17N3O4/c17-10-6-20-4-3-9(10)15-12(18)8-5-14-11(7-1-2-7)16-13(8)19/h5,7,9-10,17H,1-4,6H2,(H,15,18)(H,14,16,19)/t9-,10-/m1/s1
InChIKeyFHHDGZDZYAEYDW-NXEZZACHSA-N
XLogP-0.47
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-anhydro-2-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,4-dideoxy-D-threo-pentitol
CID 91760242
1,5-anhydro-3-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,3-dideoxy-4-O-(3-methylbut-2-en-1-yl)-D-threo-pentitol
CID 91772398
1,5-anhydro-3-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,3-dideoxy-4-O-methyl-D-threo-pentitol
CID 91797301

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 91764354) is 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(N[C@@H]1CCOC[C@H]1O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FHHDGZDZYAEYDW-NXEZZACHSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10-6-20-4-3-9(10)15-12(18)8-5-14-11(7-1-2-7)16-13(8)19/h5,7,9-10,17H,1-4,6H2,(H,15,18)(H,14,16,19)/t9-,10-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91764354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).