4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine

C18H18N4 — CID 3695756

IUPAC4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
SMILESCC(=NNc1nc(C)cc(C)n1)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N4/c1-12-10-13(2)20-18(19-12)22-21-14(3)16-9-8-15-6-4-5-7-17(15)11-16/h4-11H,1-3H3,(H,19,20,22)
InChIKeyFGZWRRBHDZVRDX-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.08
Rot. Bonds3

About 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine

4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine (PubChem CID 3695756) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
PubChem CID3695756
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
SMILESCC(=NNc1nc(C)cc(C)n1)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N4/c1-12-10-13(2)20-18(19-12)22-21-14(3)16-9-8-15-6-4-5-7-17(15)11-16/h4-11H,1-3H3,(H,19,20,22)
InChIKeyFGZWRRBHDZVRDX-UHFFFAOYSA-N
XLogP4.08
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.08
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

4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013557
4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013735
4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
CID 2842182
6-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-2-carboxamide
CID 174219685
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
CID 5378627
N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
CID 867251
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
N-[(E)-1-naphthalen-2-ylethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 95572225
4,6-dimethyl-N-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine
CID 40882052

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine (CID 3695756) is 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine is CC(=NNc1nc(C)cc(C)n1)c1ccc2ccccc2c1.
What is the InChIKey of 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine?
The InChIKey is FGZWRRBHDZVRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-10-13(2)20-18(19-12)22-21-14(3)16-9-8-15-6-4-5-7-17(15)11-16/h4-11H,1-3H3,(H,19,20,22).
What are the key properties of 4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine?
4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 4.08, 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-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine is sourced from PubChem (CID 3695756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).