2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C25H35N3 — CID 22143453

IUPAC2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(-c2nc3c(c(NC4CC(C)CCC4C(C)C)n2)CCCC3)cc1
InChIInChI=1S/C25H35N3/c1-16(2)20-14-11-18(4)15-23(20)27-25-21-7-5-6-8-22(21)26-24(28-25)19-12-9-17(3)10-13-19/h9-10,12-13,16,18,20,23H,5-8,11,14-15H2,1-4H3,(H,26,27,28)
InChIKeyILUNGQJPGKSCLO-UHFFFAOYSA-N
MW377.58 g/mol
LogP6.20
Rot. Bonds4

About 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 22143453) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID22143453
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(-c2nc3c(c(NC4CC(C)CCC4C(C)C)n2)CCCC3)cc1
InChIInChI=1S/C25H35N3/c1-16(2)20-14-11-18(4)15-23(20)27-25-21-7-5-6-8-22(21)26-24(28-25)19-12-9-17(3)10-13-19/h9-10,12-13,16,18,20,23H,5-8,11,14-15H2,1-4H3,(H,26,27,28)
InChIKeyILUNGQJPGKSCLO-UHFFFAOYSA-N
XLogP6.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 22143453) is 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1ccc(-c2nc3c(c(NC4CC(C)CCC4C(C)C)n2)CCCC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ILUNGQJPGKSCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3/c1-16(2)20-14-11-18(4)15-23(20)27-25-21-7-5-6-8-22(21)26-24(28-25)19-12-9-17(3)10-13-19/h9-10,12-13,16,18,20,23H,5-8,11,14-15H2,1-4H3,(H,26,27,28).
What are the key properties of 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 377.58 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 22143453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).