2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C17H21N3 — CID 62203821

IUPAC2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cc(C)ccc2C)nc2c1CCCC2
InChIInChI=1S/C17H21N3/c1-11-8-9-12(2)14(10-11)17-19-15-7-5-4-6-13(15)16(18-3)20-17/h8-10H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyZXLPYZAENSWWLH-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.68
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62203821) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62203821
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cc(C)ccc2C)nc2c1CCCC2
InChIInChI=1S/C17H21N3/c1-11-8-9-12(2)14(10-11)17-19-15-7-5-4-6-13(15)16(18-3)20-17/h8-10H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyZXLPYZAENSWWLH-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
5-(4-Tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
CID 10945514
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
5-Phenethylquinazoline-2,4-diamine
CID 490662
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62203821) is 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2cc(C)ccc2C)nc2c1CCCC2.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is ZXLPYZAENSWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11-8-9-12(2)14(10-11)17-19-15-7-5-4-6-13(15)16(18-3)20-17/h8-10H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62203821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).