4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine

C14H16N4 — CID 6323092

IUPAC4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine
SMILESCc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H16N4/c1-10-4-6-13(7-5-10)9-15-18-14-16-11(2)8-12(3)17-14/h4-9H,1-3H3,(H,16,17,18)/b15-9+
InChIKeyCCASRPVWNMDLJA-OQLLNIDSSA-N
MW240.31 g/mol
LogP2.85
Rot. Bonds3

About 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine (PubChem CID 6323092) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine
PubChem CID6323092
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine
SMILESCc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H16N4/c1-10-4-6-13(7-5-10)9-15-18-14-16-11(2)8-12(3)17-14/h4-9H,1-3H3,(H,16,17,18)/b15-9+
InChIKeyCCASRPVWNMDLJA-OQLLNIDSSA-N
XLogP2.85
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.85
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

2-Amino-4-phenylpyrimidine
CID 598777
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
Ferimzone
CID 9013425
N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6323091
{4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-phenyl}-diethyl-amine
CID 9585548
4,6-dimethyl-2-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]pyrimidine
CID 9585598
4,6-dimethyl-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrimidine
CID 9609651
N-benzyl-4-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-methylpyrimidin-2-amine
CID 9627919
N-benzyl-4-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-2-amine
CID 9629464
2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-4,6-dimethylpyrimidine
CID 9633328
2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-
CID 308637

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine (CID 6323092) is 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine is Cc1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine?
The InChIKey is CCASRPVWNMDLJA-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-4-6-13(7-5-10)9-15-18-14-16-11(2)8-12(3)17-14/h4-9H,1-3H3,(H,16,17,18)/b15-9+.
What are the key properties of 4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.85, 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-[(E)-(4-methylphenyl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 6323092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).