2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C15H16ClN3 — CID 62192630

IUPAC2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(Cc2cccc(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C15H16ClN3/c16-11-5-3-4-10(8-11)9-14-18-13-7-2-1-6-12(13)15(17)19-14/h3-5,8H,1-2,6-7,9H2,(H2,17,18,19)
InChIKeyHAKWXIFJBUDFSH-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.18
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62192630) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62192630
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(Cc2cccc(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C15H16ClN3/c16-11-5-3-4-10(8-11)9-14-18-13-7-2-1-6-12(13)15(17)19-14/h3-5,8H,1-2,6-7,9H2,(H2,17,18,19)
InChIKeyHAKWXIFJBUDFSH-UHFFFAOYSA-N
XLogP3.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351504
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306930
2-[(4-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66143223
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190657
2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471831
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
4-[(3-chlorophenyl)methyl]-6-(dichloromethyl)-1,3,5-triazin-2-amine
CID 54670841
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740703
6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 625687

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62192630) is 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(Cc2cccc(Cl)c2)nc2c1CCCC2.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HAKWXIFJBUDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c16-11-5-3-4-10(8-11)9-14-18-13-7-2-1-6-12(13)15(17)19-14/h3-5,8H,1-2,6-7,9H2,(H2,17,18,19).
What are the key properties of 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62192630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).