8,9-dihydro-1H-perimidin-2-amine

C11H11N3 — CID 163722852

IUPAC8,9-dihydro-1H-perimidin-2-amine
SMILESNC1=Nc2cccc3c2=C(CCC=3)N1
InChIInChI=1S/C11H11N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1,3-5H,2,6H2,(H3,12,13,14)
InChIKeyKTBILXVVLUIYMI-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.08
Rot. Bonds

About 8,9-dihydro-1H-perimidin-2-amine

8,9-dihydro-1H-perimidin-2-amine (PubChem CID 163722852) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 8,9-dihydro-1H-perimidin-2-amine.

Molecular Properties

Compound Name8,9-dihydro-1H-perimidin-2-amine
PubChem CID163722852
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name8,9-dihydro-1H-perimidin-2-amine
SMILESNC1=Nc2cccc3c2=C(CCC=3)N1
InChIInChI=1S/C11H11N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1,3-5H,2,6H2,(H3,12,13,14)
InChIKeyKTBILXVVLUIYMI-UHFFFAOYSA-N
XLogP-0.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(6-methylcyclohexa-1,3-dien-1-yl)-2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]guanidine
CID 89098625
8,9-dihydro-1H-perimidine
CID 129044407
5-Methyl-4-methylidene-3,7-dihydrocyclopenta[d]pyrimidin-2-amine
CID 134181285
1,2-Bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine
CID 139687703
4-ethenyl-2-methyl-5-methylidene-1H-quinazoline
CID 145591841
1H-cyclohepta[d]pyrimidine-2,4-diamine
CID 153822746
5-[(Z)-but-2-en-2-yl]-4-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 155072452
3a,7,8,9-tetrahydro-1H-perimidin-2-amine
CID 163884016

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-1H-perimidin-2-amine?
The IUPAC name of 8,9-dihydro-1H-perimidin-2-amine (CID 163722852) is 8,9-dihydro-1H-perimidin-2-amine.
What is the SMILES notation for 8,9-dihydro-1H-perimidin-2-amine?
The canonical SMILES for 8,9-dihydro-1H-perimidin-2-amine is NC1=Nc2cccc3c2=C(CCC=3)N1.
What is the InChIKey of 8,9-dihydro-1H-perimidin-2-amine?
The InChIKey is KTBILXVVLUIYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1,3-5H,2,6H2,(H3,12,13,14).
What are the key properties of 8,9-dihydro-1H-perimidin-2-amine?
8,9-dihydro-1H-perimidin-2-amine has a molecular weight of 185.23 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-1H-perimidin-2-amine is sourced from PubChem (CID 163722852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).