9b-methyl-1,6a-dihydroperimidine

C12H12N2 — CID 163643222

IUPAC9b-methyl-1,6a-dihydroperimidine
SMILESCC12C3=CC=CC1C=CC=C2NC=N3
InChIInChI=1S/C12H12N2/c1-12-9-4-2-6-10(12)13-8-14-11(12)7-3-5-9/h2-9H,1H3,(H,13,14)
InChIKeyIGBPWIOREGRDRA-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.15
Rot. Bonds

About 9b-methyl-1,6a-dihydroperimidine

9b-methyl-1,6a-dihydroperimidine (PubChem CID 163643222) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 9b-methyl-1,6a-dihydroperimidine.

Molecular Properties

Compound Name9b-methyl-1,6a-dihydroperimidine
PubChem CID163643222
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name9b-methyl-1,6a-dihydroperimidine
SMILESCC12C3=CC=CC1C=CC=C2NC=N3
InChIInChI=1S/C12H12N2/c1-12-9-4-2-6-10(12)13-8-14-11(12)7-3-5-9/h2-9H,1H3,(H,13,14)
InChIKeyIGBPWIOREGRDRA-UHFFFAOYSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4a,5-Tetrahydroquinazoline
CID 91612703
6a,9b-dihydro-1H-perimidine
CID 142198156
5-Methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
CID 156226497
N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide
CID 171089154

Frequently Asked Questions

What is the IUPAC name of 9b-methyl-1,6a-dihydroperimidine?
The IUPAC name of 9b-methyl-1,6a-dihydroperimidine (CID 163643222) is 9b-methyl-1,6a-dihydroperimidine.
What is the SMILES notation for 9b-methyl-1,6a-dihydroperimidine?
The canonical SMILES for 9b-methyl-1,6a-dihydroperimidine is CC12C3=CC=CC1C=CC=C2NC=N3.
What is the InChIKey of 9b-methyl-1,6a-dihydroperimidine?
The InChIKey is IGBPWIOREGRDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-12-9-4-2-6-10(12)13-8-14-11(12)7-3-5-9/h2-9H,1H3,(H,13,14).
What are the key properties of 9b-methyl-1,6a-dihydroperimidine?
9b-methyl-1,6a-dihydroperimidine has a molecular weight of 184.24 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-methyl-1,6a-dihydroperimidine is sourced from PubChem (CID 163643222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).