2-methyl-4,6,7,8-tetrahydroquinazoline

C9H12N2 — CID 174603823

IUPAC2-methyl-4,6,7,8-tetrahydroquinazoline
SMILESCC1=NCC2=CCCCC2=N1
InChIInChI=1S/C9H12N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h4H,2-3,5-6H2,1H3
InChIKeyYZXYMBCEISZLAY-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.97
Rot. Bonds

About 2-methyl-4,6,7,8-tetrahydroquinazoline

2-methyl-4,6,7,8-tetrahydroquinazoline (PubChem CID 174603823) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-methyl-4,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-methyl-4,6,7,8-tetrahydroquinazoline
PubChem CID174603823
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-methyl-4,6,7,8-tetrahydroquinazoline
SMILESCC1=NCC2=CCCCC2=N1
InChIInChI=1S/C9H12N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h4H,2-3,5-6H2,1H3
InChIKeyYZXYMBCEISZLAY-UHFFFAOYSA-N
XLogP1.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-methyl-4,6,7,8-tetrahydroquinazoline (CID 174603823) is 2-methyl-4,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-methyl-4,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-methyl-4,6,7,8-tetrahydroquinazoline is CC1=NCC2=CCCCC2=N1.
What is the InChIKey of 2-methyl-4,6,7,8-tetrahydroquinazoline?
The InChIKey is YZXYMBCEISZLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-methyl-4,6,7,8-tetrahydroquinazoline?
2-methyl-4,6,7,8-tetrahydroquinazoline has a molecular weight of 148.21 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 174603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).