6H-cyclohepta[d]pyrimidin-2-amine

C9H9N3 — CID 140595613

IUPAC6H-cyclohepta[d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)=CC=CCC=2
InChIInChI=1S/C9H9N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h1,3-6H,2H2,(H2,10,12)
InChIKeyRZNFWVADCLDDSO-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.42
Rot. Bonds

About 6H-cyclohepta[d]pyrimidin-2-amine

6H-cyclohepta[d]pyrimidin-2-amine (PubChem CID 140595613) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 6H-cyclohepta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name6H-cyclohepta[d]pyrimidin-2-amine
PubChem CID140595613
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name6H-cyclohepta[d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)=CC=CCC=2
InChIInChI=1S/C9H9N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h1,3-6H,2H2,(H2,10,12)
InChIKeyRZNFWVADCLDDSO-UHFFFAOYSA-N
XLogP-0.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45080292
2-(6H-indol-3-yl)ethanimine
CID 11840987
6H-pyrimido[5,4-c]azepine
CID 45080176
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
6H-pyrimido[4,5-d][2]benzazepine
CID 70499014
(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyridin-3-amine
CID 87171102
6H-pyrimido[5,4-d][2]benzazepine
CID 87425228
(Z)-[(2E)-5-methyl-2-prop-2-enylidene-3-pyridinylidene]methanamine
CID 88563059
6,6-Dimethylpyrimido[4,5-c]azepine
CID 89075690
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
(E)-[(3Z)-5-methyl-3-prop-2-enylidene-2-pyridinylidene]methanamine
CID 89263427

Frequently Asked Questions

What is the IUPAC name of 6H-cyclohepta[d]pyrimidin-2-amine?
The IUPAC name of 6H-cyclohepta[d]pyrimidin-2-amine (CID 140595613) is 6H-cyclohepta[d]pyrimidin-2-amine.
What is the SMILES notation for 6H-cyclohepta[d]pyrimidin-2-amine?
The canonical SMILES for 6H-cyclohepta[d]pyrimidin-2-amine is Nc1ncc2c(n1)=CC=CCC=2.
What is the InChIKey of 6H-cyclohepta[d]pyrimidin-2-amine?
The InChIKey is RZNFWVADCLDDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h1,3-6H,2H2,(H2,10,12).
What are the key properties of 6H-cyclohepta[d]pyrimidin-2-amine?
6H-cyclohepta[d]pyrimidin-2-amine has a molecular weight of 159.19 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclohepta[d]pyrimidin-2-amine is sourced from PubChem (CID 140595613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).