4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide

C15H16N4O — CID 6273255

IUPAC4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C15H16N4O/c1-10-9-11(2)17-14(16-10)15(20)19-18-12(3)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,19,20)/b18-12-
InChIKeyXAKZHPBNDQBHSV-PDGQHHTCSA-N
MW268.32 g/mol
LogP2.25
Rot. Bonds3

About 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide

4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide (PubChem CID 6273255) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide
PubChem CID6273255
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C15H16N4O/c1-10-9-11(2)17-14(16-10)15(20)19-18-12(3)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,19,20)/b18-12-
InChIKeyXAKZHPBNDQBHSV-PDGQHHTCSA-N
XLogP2.25
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5,7-dimethyl-N-(1-phenylethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2837071
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
1-methyl-N-[(E)-1-phenylethylideneamino]pyridin-1-ium-4-carboxamide
CID 51056262
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
CID 138454533
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide (CID 6273255) is 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide is C/C(=N/NC(=O)c1nc(C)cc(C)n1)c1ccccc1.
What is the InChIKey of 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide?
The InChIKey is XAKZHPBNDQBHSV-PDGQHHTCSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-9-11(2)17-14(16-10)15(20)19-18-12(3)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,19,20)/b18-12-.
What are the key properties of 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide?
4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(Z)-1-phenylethylideneamino]pyrimidine-2-carboxamide is sourced from PubChem (CID 6273255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).