6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline

C12H15BrN2 — CID 172835016

IUPAC6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline
SMILESCc1c(Br)ccc2c1=CN(C(C)C)CN=2
InChIInChI=1S/C12H15BrN2/c1-8(2)15-6-10-9(3)11(13)4-5-12(10)14-7-15/h4-6,8H,7H2,1-3H3
InChIKeyWAMOASUTVFEGBK-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.80
Rot. Bonds1

About 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline

6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline (PubChem CID 172835016) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline.

Molecular Properties

Compound Name6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline
PubChem CID172835016
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline
SMILESCc1c(Br)ccc2c1=CN(C(C)C)CN=2
InChIInChI=1S/C12H15BrN2/c1-8(2)15-6-10-9(3)11(13)4-5-12(10)14-7-15/h4-6,8H,7H2,1-3H3
InChIKeyWAMOASUTVFEGBK-UHFFFAOYSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylquinazoline
CID 68345740
6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline
CID 175890660
6-bromo-5-fluoro-3-methyl-2H-quinazoline
CID 175890772
2,3-dimethyl-2H-quinazoline
CID 23503296
6-bromo-3-cyclopropyl-2H-quinazoline
CID 68956138
6-bromo-3-methyl-2H-quinazoline
CID 141185520
3,8-dimethyl-2H-quinazoline
CID 152633432
6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline
CID 172706741
6-bromo-3,5-dimethyl-2H-quinazoline
CID 172787863
argon;3-methyl-2H-quinazoline
CID 174559439
3-(2-bromoethyl)-2H-quinazoline
CID 174907746
3-(2-bromoethyl)-8-methyl-2H-quinazoline
CID 175932858

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline?
The IUPAC name of 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline (CID 172835016) is 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline.
What is the SMILES notation for 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline?
The canonical SMILES for 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline is Cc1c(Br)ccc2c1=CN(C(C)C)CN=2.
What is the InChIKey of 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline?
The InChIKey is WAMOASUTVFEGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8(2)15-6-10-9(3)11(13)4-5-12(10)14-7-15/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline?
6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline has a molecular weight of 267.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline is sourced from PubChem (CID 172835016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).