2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine

C15H15ClFN3 — CID 63023527

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(Cc3c(F)cccc3Cl)ncc21
InChIInChI=1S/C15H15ClFN3/c16-11-3-1-4-12(17)9(11)7-15-19-8-10-13(18)5-2-6-14(10)20-15/h1,3-4,8,13H,2,5-7,18H2
InChIKeyCHXJJWBOLUIEHU-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.20
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine

2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 63023527) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID63023527
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(Cc3c(F)cccc3Cl)ncc21
InChIInChI=1S/C15H15ClFN3/c16-11-3-1-4-12(17)9(11)7-15-19-8-10-13(18)5-2-6-14(10)20-15/h1,3-4,8,13H,2,5-7,18H2
InChIKeyCHXJJWBOLUIEHU-UHFFFAOYSA-N
XLogP3.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one
CID 63023526
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377
2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009060
2-[(2-bromophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384927
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103476134
2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008088
2-(3-chloro-4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384986
2-chloro-5,6,7,8-tetrahydroquinolin-5-amine
CID 129079478
3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976553
2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384959
2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine (CID 63023527) is 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine is NC1CCCc2nc(Cc3c(F)cccc3Cl)ncc21.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is CHXJJWBOLUIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c16-11-3-1-4-12(17)9(11)7-15-19-8-10-13(18)5-2-6-14(10)20-15/h1,3-4,8,13H,2,5-7,18H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine?
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 291.76 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 63023527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).