6a,9b-dihydro-1H-perimidine

C11H10N2 — CID 142198156

IUPAC6a,9b-dihydro-1H-perimidine
SMILESC1=CC2C=CC=C3NC=NC(=C1)C32
InChIInChI=1S/C11H10N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1-8,11H,(H,12,13)
InChIKeyIRKTZPMDZFWXDF-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.76
Rot. Bonds

About 6a,9b-dihydro-1H-perimidine

6a,9b-dihydro-1H-perimidine (PubChem CID 142198156) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 6a,9b-dihydro-1H-perimidine.

Molecular Properties

Compound Name6a,9b-dihydro-1H-perimidine
PubChem CID142198156
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name6a,9b-dihydro-1H-perimidine
SMILESC1=CC2C=CC=C3NC=NC(=C1)C32
InChIInChI=1S/C11H10N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1-8,11H,(H,12,13)
InChIKeyIRKTZPMDZFWXDF-UHFFFAOYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
1,4,7,8-Tetrahydroquinazoline
CID 91106721
(8aS)-1,4,4a,8a-tetrahydroquinazoline
CID 91496825
1,4,4a,5-Tetrahydroquinazoline
CID 91612703
8,9-dihydro-1H-perimidine
CID 129044407
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
5-Methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
CID 156226497
9b-Methyl-1,6a-dihydroperimidine
CID 163643222
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine
CID 164543136

Frequently Asked Questions

What is the IUPAC name of 6a,9b-dihydro-1H-perimidine?
The IUPAC name of 6a,9b-dihydro-1H-perimidine (CID 142198156) is 6a,9b-dihydro-1H-perimidine.
What is the SMILES notation for 6a,9b-dihydro-1H-perimidine?
The canonical SMILES for 6a,9b-dihydro-1H-perimidine is C1=CC2C=CC=C3NC=NC(=C1)C32.
What is the InChIKey of 6a,9b-dihydro-1H-perimidine?
The InChIKey is IRKTZPMDZFWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1-8,11H,(H,12,13).
What are the key properties of 6a,9b-dihydro-1H-perimidine?
6a,9b-dihydro-1H-perimidine has a molecular weight of 170.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,9b-dihydro-1H-perimidine is sourced from PubChem (CID 142198156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).