2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide

C13H19N3O3 — CID 74230436

IUPAC2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-2-19-7-3-6-14-12(17)10-8-15-11(9-4-5-9)16-13(10)18/h8-9H,2-7H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyYRDXOBIMZORLRL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.80
Rot. Bonds7

About 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 74230436) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID74230436
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-2-19-7-3-6-14-12(17)10-8-15-11(9-4-5-9)16-13(10)18/h8-9H,2-7H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyYRDXOBIMZORLRL-UHFFFAOYSA-N
XLogP0.80
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-{[3-(propoxymethyl)pyrrolidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72901336
2-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
2-Tert-butyl-4-hydroxy-N-{[1-(3-methoxypropyl)pyrrolidin-3-YL]methyl}pyrimidine-5-carboxamide
CID 70722407
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
2-cyclopropyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 83875150
N-cyclopropyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95916096
2-tert-butyl-N-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97118462
2-tert-butyl-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97118463
2-methyl-5-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97138691
2-methyl-5-[(3S)-3-(propoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97138692
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102929357

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 74230436) is 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCOCCCNC(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YRDXOBIMZORLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-19-7-3-6-14-12(17)10-8-15-11(9-4-5-9)16-13(10)18/h8-9H,2-7H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74230436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).