2-methyl-1,2,5,6-tetrahydroquinazoline

C9H12N2 — CID 143224358

IUPAC2-methyl-1,2,5,6-tetrahydroquinazoline
SMILESCC1N=CC2=C(C=CCC2)N1
InChIInChI=1S/C9H12N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h3,5-7,11H,2,4H2,1H3
InChIKeyNCGKDYYUDPLESL-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.61
Rot. Bonds

About 2-methyl-1,2,5,6-tetrahydroquinazoline

2-methyl-1,2,5,6-tetrahydroquinazoline (PubChem CID 143224358) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-methyl-1,2,5,6-tetrahydroquinazoline.

Molecular Properties

Compound Name2-methyl-1,2,5,6-tetrahydroquinazoline
PubChem CID143224358
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-methyl-1,2,5,6-tetrahydroquinazoline
SMILESCC1N=CC2=C(C=CCC2)N1
InChIInChI=1S/C9H12N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h3,5-7,11H,2,4H2,1H3
InChIKeyNCGKDYYUDPLESL-UHFFFAOYSA-N
XLogP1.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dihydro-1H-cyclopenta[d]pyrimidine
CID 19780224
2,5-dihydro-1H-1,7-naphthyridin-6-imine
CID 67913999
2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 70856836
3-Methyl-6,7-dihydro-1,7-naphthyridine
CID 89225472
9-Methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,9,11,13(17),15-heptaene
CID 90761597
1,2,6,8a-Tetrahydroquinazoline
CID 91089711
3-methylidene-2H-2,6-naphthyridine
CID 117661074
3-methylidene-2H-2,7-naphthyridine
CID 117661082
(6Z)-5-methylidene-6-propylidene-1,2-dihydropyrimidine
CID 130389549
(8E)-8-(1-cyclohexa-1,3-dien-1-ylethylidene)-2-ethyl-1,2,5,6-tetrahydroquinazolin-7-imine
CID 134426367
2,8a-dihydro-1H-1,8-naphthyridine
CID 138598725
2,5-dihydro-1H-cyclopenta[d]pyrimidin-2-amine
CID 141289914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,5,6-tetrahydroquinazoline?
The IUPAC name of 2-methyl-1,2,5,6-tetrahydroquinazoline (CID 143224358) is 2-methyl-1,2,5,6-tetrahydroquinazoline.
What is the SMILES notation for 2-methyl-1,2,5,6-tetrahydroquinazoline?
The canonical SMILES for 2-methyl-1,2,5,6-tetrahydroquinazoline is CC1N=CC2=C(C=CCC2)N1.
What is the InChIKey of 2-methyl-1,2,5,6-tetrahydroquinazoline?
The InChIKey is NCGKDYYUDPLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h3,5-7,11H,2,4H2,1H3.
What are the key properties of 2-methyl-1,2,5,6-tetrahydroquinazoline?
2-methyl-1,2,5,6-tetrahydroquinazoline has a molecular weight of 148.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,5,6-tetrahydroquinazoline is sourced from PubChem (CID 143224358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).