N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine

C15H15ClN4 — CID 6902497

IUPACN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/C(Cl)=C/c2ccccc2)n1
InChIInChI=1S/C15H15ClN4/c1-11-8-12(2)19-15(18-11)20-17-10-14(16)9-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19,20)/b14-9-,17-10+
InChIKeyMYOWCYRUPQFLFZ-WXYRWYTRSA-N
MW286.77 g/mol
LogP3.77
Rot. Bonds4

About N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine

N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 6902497) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine
PubChem CID6902497
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/C(Cl)=C/c2ccccc2)n1
InChIInChI=1S/C15H15ClN4/c1-11-8-12(2)19-15(18-11)20-17-10-14(16)9-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19,20)/b14-9-,17-10+
InChIKeyMYOWCYRUPQFLFZ-WXYRWYTRSA-N
XLogP3.77
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.77
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 N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-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 N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine (CID 6902497) is N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N/N=C/C(Cl)=C/c2ccccc2)n1.
What is the InChIKey of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is MYOWCYRUPQFLFZ-WXYRWYTRSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-11-8-12(2)19-15(18-11)20-17-10-14(16)9-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19,20)/b14-9-,17-10+.
What are the key properties of N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine?
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 286.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 6902497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).