2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H21N3O3 — CID 122564127

IUPAC2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCC1CCCOC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H21N3O3/c19-14(16-6-5-10-2-1-7-21-9-10)12-8-17-13(11-3-4-11)18-15(12)20/h8,10-11H,1-7,9H2,(H,16,19)(H,17,18,20)
InChIKeyFKKPXTFMKKIESG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.19
Rot. Bonds5

About 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 122564127) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID122564127
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCC1CCCOC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H21N3O3/c19-14(16-6-5-10-2-1-7-21-9-10)12-8-17-13(11-3-4-11)18-15(12)20/h8,10-11H,1-7,9H2,(H,16,19)(H,17,18,20)
InChIKeyFKKPXTFMKKIESG-UHFFFAOYSA-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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Related Compounds

5-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 70783575
5-(aminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84121099
5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131866
5-[(3R)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96407756
5-[(3S)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96407757
5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 114206334
2-cyclopropyl-N-[2-[(3S)-oxan-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 125441638
2-cyclopropyl-N-[2-[(3R)-oxan-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 125441639
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 166419184

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 122564127) is 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NCCC1CCCOC1)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FKKPXTFMKKIESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(16-6-5-10-2-1-7-21-9-10)12-8-17-13(11-3-4-11)18-15(12)20/h8,10-11H,1-7,9H2,(H,16,19)(H,17,18,20).
What are the key properties of 2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-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-(oxan-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 122564127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).