2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C16H19N3 — CID 62008870

IUPAC2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCc1ccc(-c2ncc3c(n2)CCCC3N)cc1
InChIInChI=1S/C16H19N3/c1-2-11-6-8-12(9-7-11)16-18-10-13-14(17)4-3-5-15(13)19-16/h6-10,14H,2-5,17H2,1H3
InChIKeyYBYWPNYAFPTCKZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62008870) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62008870
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCc1ccc(-c2ncc3c(n2)CCCC3N)cc1
InChIInChI=1S/C16H19N3/c1-2-11-6-8-12(9-7-11)16-18-10-13-14(17)4-3-5-15(13)19-16/h6-10,14H,2-5,17H2,1H3
InChIKeyYBYWPNYAFPTCKZ-UHFFFAOYSA-N
XLogP3.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-phenylpyrimidine
CID 598777
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N-Cyclohexylquinazolin-4-amine
CID 13231190
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
(6s)-6-Phenyl-5,6-Dihydrobenzo[h]quinazolin-2-Amine
CID 51346202
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
2-cyclopentyl-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062782
2-benzyl-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062910
2-benzyl-4-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062911

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62008870) is 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCc1ccc(-c2ncc3c(n2)CCCC3N)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is YBYWPNYAFPTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-11-6-8-12(9-7-11)16-18-10-13-14(17)4-3-5-15(13)19-16/h6-10,14H,2-5,17H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 253.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62008870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).