6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide

C17H20N4O3 — CID 110525976

IUPAC6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccc2OCC(C)C)nc(=O)[nH]1
InChIInChI=1S/C17H20N4O3/c1-11(2)10-24-15-7-5-4-6-13(15)9-18-21-16(22)14-8-12(3)19-17(23)20-14/h4-9,11H,10H2,1-3H3,(H,21,22)(H,19,20,23)/b18-9+
InChIKeyOPULLJWMPJZMOR-GIJQJNRQSA-N
MW328.37 g/mol
LogP1.88
Rot. Bonds6

About 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide

6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 110525976) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID110525976
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccc2OCC(C)C)nc(=O)[nH]1
InChIInChI=1S/C17H20N4O3/c1-11(2)10-24-15-7-5-4-6-13(15)9-18-21-16(22)14-8-12(3)19-17(23)20-14/h4-9,11H,10H2,1-3H3,(H,21,22)(H,19,20,23)/b18-9+
InChIKeyOPULLJWMPJZMOR-GIJQJNRQSA-N
XLogP1.88
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525663
6-methyl-2-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrimidine-4-carboxamide
CID 110526032
2-oxo-N-[(E)-(2-propoxyphenyl)methylideneamino]-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525734
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127
2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5403957
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781488
2-(2-chlorophenyl)-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110527048
6-methyl-2-oxo-N-[(E)-[4-(3-phenylpropoxy)phenyl]methylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525978
N-[(E)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110526014
4-(4-fluorophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-oxo-1H-pyrimidine-6-carboxamide
CID 110525790
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110526004
4-(4-fluorophenyl)-N-[(E)-(2-heptoxyphenyl)methylideneamino]-2-oxo-1H-pyrimidine-6-carboxamide
CID 110525841

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide (CID 110525976) is 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide is Cc1cc(C(=O)N/N=C/c2ccccc2OCC(C)C)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is OPULLJWMPJZMOR-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(2)10-24-15-7-5-4-6-13(15)9-18-21-16(22)14-8-12(3)19-17(23)20-14/h4-9,11H,10H2,1-3H3,(H,21,22)(H,19,20,23)/b18-9+.
What are the key properties of 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide?
6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110525976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).