N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

C20H26N4 — CID 4318963

IUPACN-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCC(=NNc1nc(C)cc(C)n1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H26N4/c1-14-13-15(2)22-20(21-14)24-23-16(3)17-9-11-19(12-10-17)18-7-5-4-6-8-18/h9-13,18H,4-8H2,1-3H3,(H,21,22,24)
InChIKeyKSGDMPNUKOVATP-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.98
Rot. Bonds4

About N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 4318963) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID4318963
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCC(=NNc1nc(C)cc(C)n1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H26N4/c1-14-13-15(2)22-20(21-14)24-23-16(3)17-9-11-19(12-10-17)18-7-5-4-6-8-18/h9-13,18H,4-8H2,1-3H3,(H,21,22,24)
InChIKeyKSGDMPNUKOVATP-UHFFFAOYSA-N
XLogP4.98
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.98
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

N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126057800
4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
CID 4067906
4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
CID 3695756
1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
4,6-dimethyl-N-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine
CID 40882052
3-chloro-N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6163520
N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 126061876
4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine
CID 3409851
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 4318963) is N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is CC(=NNc1nc(C)cc(C)n1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is KSGDMPNUKOVATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-14-13-15(2)22-20(21-14)24-23-16(3)17-9-11-19(12-10-17)18-7-5-4-6-8-18/h9-13,18H,4-8H2,1-3H3,(H,21,22,24).
What are the key properties of N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 322.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 4318963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).