6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline

C13H15BrN2 — CID 172706741

IUPAC6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline
SMILESCc1c(Br)ccc2c1=CN(CC1CC1)CN=2
InChIInChI=1S/C13H15BrN2/c1-9-11-7-16(6-10-2-3-10)8-15-13(11)5-4-12(9)14/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyDRMHGOJWUXRUEW-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.80
Rot. Bonds2

About 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline

6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline (PubChem CID 172706741) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline.

Molecular Properties

Compound Name6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline
PubChem CID172706741
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline
SMILESCc1c(Br)ccc2c1=CN(CC1CC1)CN=2
InChIInChI=1S/C13H15BrN2/c1-9-11-7-16(6-10-2-3-10)8-15-13(11)5-4-12(9)14/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyDRMHGOJWUXRUEW-UHFFFAOYSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline?
The IUPAC name of 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline (CID 172706741) is 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline.
What is the SMILES notation for 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline?
The canonical SMILES for 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline is Cc1c(Br)ccc2c1=CN(CC1CC1)CN=2.
What is the InChIKey of 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline?
The InChIKey is DRMHGOJWUXRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-9-11-7-16(6-10-2-3-10)8-15-13(11)5-4-12(9)14/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline?
6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline has a molecular weight of 279.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline is sourced from PubChem (CID 172706741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).