2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide

C15H21N3O3 — CID 154847437

IUPAC2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESC[C@@H]1OCC[C@@H]1CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H21N3O3/c1-9-10(5-7-21-9)4-6-16-15(20)12-8-13(19)18-14(17-12)11-2-3-11/h8-11H,2-7H2,1H3,(H,16,20)(H,17,18,19)/t9-,10-/m0/s1
InChIKeyWLZVQJATWRSAEN-UWVGGRQHSA-N
MW291.35 g/mol
LogP1.19
Rot. Bonds5

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

2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154847437) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154847437
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESC[C@@H]1OCC[C@@H]1CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H21N3O3/c1-9-10(5-7-21-9)4-6-16-15(20)12-8-13(19)18-14(17-12)11-2-3-11/h8-11H,2-7H2,1H3,(H,16,20)(H,17,18,19)/t9-,10-/m0/s1
InChIKeyWLZVQJATWRSAEN-UWVGGRQHSA-N
XLogP1.19
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 154847437) is 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is C[C@@H]1OCC[C@@H]1CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is WLZVQJATWRSAEN-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-10(5-7-21-9)4-6-16-15(20)12-8-13(19)18-14(17-12)11-2-3-11/h8-11H,2-7H2,1H3,(H,16,20)(H,17,18,19)/t9-,10-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[(2S,3S)-2-methyloxolan-3-yl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154847437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).