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

C12H17N3O3 — CID 74241342

IUPAC2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOCCNC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-2-18-6-5-13-11(16)9-7-14-10(8-3-4-8)15-12(9)17/h7-8H,2-6H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyKOOGWWJVLCPRPM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.41
Rot. Bonds6

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

2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 74241342) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID74241342
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOCCNC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-2-18-6-5-13-11(16)9-7-14-10(8-3-4-8)15-12(9)17/h7-8H,2-6H2,1H3,(H,13,16)(H,14,15,17)
InChIKeyKOOGWWJVLCPRPM-UHFFFAOYSA-N
XLogP0.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.41
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-cyclopropyl-N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-4-hydroxypyrimidine-5-carboxamide
CID 70764064
4-Hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72897875
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
2-cyclopropyl-N-ethyl-N-(2-morpholin-4-ylethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241645
2-isopropyl-5-{[4-(2-methoxyethyl)piperazin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91839408
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973
5-(aminomethyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 104189995
N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849278
N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849279
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 110849406

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 74241342) is 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCOCCNC(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KOOGWWJVLCPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-6-5-13-11(16)9-7-14-10(8-3-4-8)15-12(9)17/h7-8H,2-6H2,1H3,(H,13,16)(H,14,15,17).
What are the key properties of 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74241342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).