[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H17BrFN3 — CID 107924337

IUPAC[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(-c2cc(F)ccc2Br)nc2c1CC(CN)CC2
InChIInChI=1S/C16H17BrFN3/c1-9-12-6-10(8-19)2-5-15(12)21-16(20-9)13-7-11(18)3-4-14(13)17/h3-4,7,10H,2,5-6,8,19H2,1H3
InChIKeyOMBLZGUUIHGLSA-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.42
Rot. Bonds2

About [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 107924337) has the molecular formula C16H17BrFN3 and a molecular weight of 350.24 g/mol. Its IUPAC name is [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID107924337
Molecular FormulaC16H17BrFN3
Molecular Weight350.24 g/mol
Exact Mass349.06
IUPAC Name[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(-c2cc(F)ccc2Br)nc2c1CC(CN)CC2
InChIInChI=1S/C16H17BrFN3/c1-9-12-6-10(8-19)2-5-15(12)21-16(20-9)13-7-11(18)3-4-14(13)17/h3-4,7,10H,2,5-6,8,19H2,1H3
InChIKeyOMBLZGUUIHGLSA-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103083994
[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424855
[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878860
[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107504552
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 115531306
(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81424289
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
CID 114016371
[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425784
2-(2-bromo-5-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107924850
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 107924337) is [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1nc(-c2cc(F)ccc2Br)nc2c1CC(CN)CC2.
What is the InChIKey of [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is OMBLZGUUIHGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3/c1-9-12-6-10(8-19)2-5-15(12)21-16(20-9)13-7-11(18)3-4-14(13)17/h3-4,7,10H,2,5-6,8,19H2,1H3.
What are the key properties of [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 350.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 107924337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).