8,9-dihydro-1H-perimidine

C11H10N2 — CID 129044407

IUPAC8,9-dihydro-1H-perimidine
SMILESC1=Nc2cccc3c2=C(CCC=3)N1
InChIInChI=1S/C11H10N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1,3-5,7H,2,6H2,(H,12,13)
InChIKeyIZQTXMZIEFWURS-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.63
Rot. Bonds

About 8,9-dihydro-1H-perimidine

8,9-dihydro-1H-perimidine (PubChem CID 129044407) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 8,9-dihydro-1H-perimidine.

Molecular Properties

Compound Name8,9-dihydro-1H-perimidine
PubChem CID129044407
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name8,9-dihydro-1H-perimidine
SMILESC1=Nc2cccc3c2=C(CCC=3)N1
InChIInChI=1S/C11H10N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1,3-5,7H,2,6H2,(H,12,13)
InChIKeyIZQTXMZIEFWURS-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Cyclopentaquinazoline
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1,5,6,7-Tetrahydroquinazolin-8-amine
CID 67606513
7,8-dihydro-1H-quinazoline-4-thione
CID 88080523
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
5,6-dihydro-1H-quinazoline-4-thione
CID 89986516
1,4,6,7-Tetrahydroquinazoline
CID 91013130
1,4,7,8-Tetrahydroquinazoline
CID 91106721
1,4,5,6-Tetrahydroquinazoline
CID 91430266
1,4,4a,5-Tetrahydroquinazoline
CID 91612703
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-1H-perimidine?
The IUPAC name of 8,9-dihydro-1H-perimidine (CID 129044407) is 8,9-dihydro-1H-perimidine.
What is the SMILES notation for 8,9-dihydro-1H-perimidine?
The canonical SMILES for 8,9-dihydro-1H-perimidine is C1=Nc2cccc3c2=C(CCC=3)N1.
What is the InChIKey of 8,9-dihydro-1H-perimidine?
The InChIKey is IZQTXMZIEFWURS-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/h1,3-5,7H,2,6H2,(H,12,13).
What are the key properties of 8,9-dihydro-1H-perimidine?
8,9-dihydro-1H-perimidine has a molecular weight of 170.22 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-1H-perimidine is sourced from PubChem (CID 129044407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).