4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine

C18H22N4 — CID 3409851

IUPAC4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine
SMILESCc1cc(C)nc(NN=C2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N4/c1-13-12-14(2)20-18(19-13)22-21-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,19,20,22)/b21-17-
InChIKeyKQXZBJTXPPVBIF-FXBPSFAMSA-N
MW294.40 g/mol
LogP4.22
Rot. Bonds3

About 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine

4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine (PubChem CID 3409851) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine
PubChem CID3409851
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine
SMILESCc1cc(C)nc(NN=C2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N4/c1-13-12-14(2)20-18(19-13)22-21-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,19,20,22)/b21-17-
InChIKeyKQXZBJTXPPVBIF-FXBPSFAMSA-N
XLogP4.22
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.22
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'}

Analyze 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine (CID 3409851) is 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine is Cc1cc(C)nc(NN=C2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine?
The InChIKey is KQXZBJTXPPVBIF-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-12-14(2)20-18(19-13)22-21-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H,19,20,22)/b21-17-.
What are the key properties of 4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine?
4,6-dimethyl-N-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine has a molecular weight of 294.40 g/mol, XLogP of 4.22, 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-[(4-phenylcyclohexylidene)amino]pyrimidin-2-amine is sourced from PubChem (CID 3409851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).