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

C14H19N3O4 — CID 70764064

IUPAC2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-2-21-11-7-20-6-10(11)16-13(18)9-5-15-12(8-3-4-8)17-14(9)19/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,18)(H,15,17,19)/t10-,11-/m0/s1
InChIKeyASNDNHSMSGEJIM-QWRGUYRKSA-N
MW293.32 g/mol
LogP0.18
Rot. Bonds5

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

2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70764064) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70764064
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-2-21-11-7-20-6-10(11)16-13(18)9-5-15-12(8-3-4-8)17-14(9)19/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,18)(H,15,17,19)/t10-,11-/m0/s1
InChIKeyASNDNHSMSGEJIM-QWRGUYRKSA-N
XLogP0.18
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
1,5-anhydro-3-O-(cyclopropylmethyl)-4-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,4-dideoxy-D-erythro-pentitol
CID 91766788
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
2-cyclopropyl-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 133125711

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70764064) is 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ASNDNHSMSGEJIM-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-11-7-20-6-10(11)16-13(18)9-5-15-12(8-3-4-8)17-14(9)19/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,18)(H,15,17,19)/t10-,11-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70764064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).