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

C12H16N2 — CID 143715698

IUPAC3-methyl-6-propan-2-yl-2H-quinazoline
SMILESCC(C)c1ccc2c(c1)=CN(C)CN=2
InChIInChI=1S/C12H16N2/c1-9(2)10-4-5-12-11(6-10)7-14(3)8-13-12/h4-7,9H,8H2,1-3H3
InChIKeyGPBVCXOCDIQEKH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.07
Rot. Bonds1

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

3-methyl-6-propan-2-yl-2H-quinazoline (PubChem CID 143715698) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-2H-quinazoline.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-2H-quinazoline
PubChem CID143715698
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-methyl-6-propan-2-yl-2H-quinazoline
SMILESCC(C)c1ccc2c(c1)=CN(C)CN=2
InChIInChI=1S/C12H16N2/c1-9(2)10-4-5-12-11(6-10)7-14(3)8-13-12/h4-7,9H,8H2,1-3H3
InChIKeyGPBVCXOCDIQEKH-UHFFFAOYSA-N
XLogP1.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylquinazolinone
CID 70515486
Quinazoline, 2,3-dihydro-2-imino-3-methyl-
CID 171383925
Pyrido[2,1-b]quinazoline
CID 16637595
3-Bromoquinazoline
CID 21897181
Azepino[2,1-b]quinazoline
CID 54195578
3-Methylquinazoline
CID 68345740
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
3-fluoro-2H-quinazoline
CID 176107688
3-Ethylquinazoline-2-thiol
CID 129756497
Quinazolino[3,2-b][2]-benzazepine
CID 129798713
N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
CID 20796100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-2H-quinazoline?
The IUPAC name of 3-methyl-6-propan-2-yl-2H-quinazoline (CID 143715698) is 3-methyl-6-propan-2-yl-2H-quinazoline.
What is the SMILES notation for 3-methyl-6-propan-2-yl-2H-quinazoline?
The canonical SMILES for 3-methyl-6-propan-2-yl-2H-quinazoline is CC(C)c1ccc2c(c1)=CN(C)CN=2.
What is the InChIKey of 3-methyl-6-propan-2-yl-2H-quinazoline?
The InChIKey is GPBVCXOCDIQEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)10-4-5-12-11(6-10)7-14(3)8-13-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-2H-quinazoline?
3-methyl-6-propan-2-yl-2H-quinazoline has a molecular weight of 188.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-2H-quinazoline is sourced from PubChem (CID 143715698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).