1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine

C21H25N5 — CID 121254825

IUPAC1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ncnc3ccc(-c4ccncc4)cc23)CC1
InChIInChI=1S/C21H25N5/c1-22-17-4-6-18(7-5-17)26(2)21-19-13-16(15-9-11-23-12-10-15)3-8-20(19)24-14-25-21/h3,8-14,17-18,22H,4-7H2,1-2H3
InChIKeyJCAMHLYCZPZBFL-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.66
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine (PubChem CID 121254825) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine
PubChem CID121254825
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2ncnc3ccc(-c4ccncc4)cc23)CC1
InChIInChI=1S/C21H25N5/c1-22-17-4-6-18(7-5-17)26(2)21-19-13-16(15-9-11-23-12-10-15)3-8-20(19)24-14-25-21/h3,8-14,17-18,22H,4-7H2,1-2H3
InChIKeyJCAMHLYCZPZBFL-UHFFFAOYSA-N
XLogP3.66
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine 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 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine (CID 121254825) is 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)c2ncnc3ccc(-c4ccncc4)cc23)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is JCAMHLYCZPZBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-22-17-4-6-18(7-5-17)26(2)21-19-13-16(15-9-11-23-12-10-15)3-8-20(19)24-14-25-21/h3,8-14,17-18,22H,4-7H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(6-pyridin-4-ylquinazolin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 121254825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).