2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide

C17H20N4O2 — CID 167782683

IUPAC2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H20N4O2/c1-3-11-6-4-5-7-13(11)20-21-17(23)14-10(2)18-15(12-8-9-12)19-16(14)22/h4-7,12,20H,3,8-9H2,1-2H3,(H,21,23)(H,18,19,22)
InChIKeyGQUATEHKJKNAEV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.28
Rot. Bonds5

About 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide

2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide (PubChem CID 167782683) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide
PubChem CID167782683
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide
SMILESCCc1ccccc1NNC(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H20N4O2/c1-3-11-6-4-5-7-13(11)20-21-17(23)14-10(2)18-15(12-8-9-12)19-16(14)22/h4-7,12,20H,3,8-9H2,1-2H3,(H,21,23)(H,18,19,22)
InChIKeyGQUATEHKJKNAEV-UHFFFAOYSA-N
XLogP2.28
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide?
The IUPAC name of 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide (CID 167782683) is 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide is CCc1ccccc1NNC(=O)c1c(C)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide?
The InChIKey is GQUATEHKJKNAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-11-6-4-5-7-13(11)20-21-17(23)14-10(2)18-15(12-8-9-12)19-16(14)22/h4-7,12,20H,3,8-9H2,1-2H3,(H,21,23)(H,18,19,22).
What are the key properties of 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide?
2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-(2-ethylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carbohydrazide is sourced from PubChem (CID 167782683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).