2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine

C23H30N6 — CID 89376623

IUPAC2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(NC2CCC(NCc3ccc(N)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H30N6/c1-29(2)22-20-5-3-4-6-21(20)27-23(28-22)26-19-13-11-18(12-14-19)25-15-16-7-9-17(24)10-8-16/h3-10,18-19,25H,11-15,24H2,1-2H3,(H,26,27,28)
InChIKeyAFQFTZBISLOUIT-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.79
Rot. Bonds6

About 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine

2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine (PubChem CID 89376623) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
PubChem CID89376623
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(NC2CCC(NCc3ccc(N)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H30N6/c1-29(2)22-20-5-3-4-6-21(20)27-23(28-22)26-19-13-11-18(12-14-19)25-15-16-7-9-17(24)10-8-16/h3-10,18-19,25H,11-15,24H2,1-2H3,(H,26,27,28)
InChIKeyAFQFTZBISLOUIT-UHFFFAOYSA-N
XLogP3.79
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-[4-[[(4-aminophenyl)methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 89376599
2-N-[4-[[4-[2-(diethylaminooxy)ethyl]phenyl]methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 162072200
4-N,4-N-dimethyl-2-N-[4-(thiophen-3-ylmethylamino)cyclohexyl]quinazoline-2,4-diamine;methane
CID 160509911
4-N,4-N-dimethyl-2-N-[4-[[3-(trifluoromethyl)phenyl]methylamino]cyclohexyl]quinazoline-2,4-diamine;methane
CID 158892668
2-N-[4-(1-benzothiophen-3-ylmethylamino)cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 157417375
4-N,4-N-dimethyl-2-N-[4-[[(4-phenoxyphenyl)methylamino]methyl]cyclohexyl]quinazoline-2,4-diamine;methane
CID 157442287
4-N,4-N-dimethyl-2-N-[[4-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230928
2-N-[4-[[2-(difluoromethoxy)phenyl]methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;methane
CID 159845380
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
2-N-[4-[3-(3,4-difluorophenyl)propylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;dihydrochloride
CID 68848328

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine (CID 89376623) is 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine is CN(C)c1nc(NC2CCC(NCc3ccc(N)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine?
The InChIKey is AFQFTZBISLOUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-29(2)22-20-5-3-4-6-21(20)27-23(28-22)26-19-13-11-18(12-14-19)25-15-16-7-9-17(24)10-8-16/h3-10,18-19,25H,11-15,24H2,1-2H3,(H,26,27,28).
What are the key properties of 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine?
2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine has a molecular weight of 390.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[(4-aminophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 89376623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).