6H-pyrimido[5,4-c]azepin-4-amine

C8H8N4 — CID 172552183

IUPAC6H-pyrimido[5,4-c]azepin-4-amine
SMILESNc1ncnc2c1=CNC=CC=2
InChIInChI=1S/C8H8N4/c9-8-6-4-10-3-1-2-7(6)11-5-12-8/h1-5,10H,(H2,9,11,12)
InChIKeyDXTJGOPRGAJBNP-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.31
Rot. Bonds

About 6H-pyrimido[5,4-c]azepin-4-amine

6H-pyrimido[5,4-c]azepin-4-amine (PubChem CID 172552183) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 6H-pyrimido[5,4-c]azepin-4-amine.

Molecular Properties

Compound Name6H-pyrimido[5,4-c]azepin-4-amine
PubChem CID172552183
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name6H-pyrimido[5,4-c]azepin-4-amine
SMILESNc1ncnc2c1=CNC=CC=2
InChIInChI=1S/C8H8N4/c9-8-6-4-10-3-1-2-7(6)11-5-12-8/h1-5,10H,(H2,9,11,12)
InChIKeyDXTJGOPRGAJBNP-UHFFFAOYSA-N
XLogP-1.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8H-pyrimido[4,5-c]azepine
CID 45080292
6H-pyrimido[5,4-c]azepine
CID 45080176
6-methyl-7H-pyrido[3,4-d]pyrimidine-4,6-diamine
CID 69961591
6H-pyrimido[4,5-d][2]benzazepine
CID 70499014
6H-pyrimido[5,4-d][2]benzazepine
CID 87425228
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
CID 130343762
(5E,6E)-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 132097819
(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
CID 134443369
(5E)-5-[1-(methylamino)ethylidene]-2H-pyridin-6-amine
CID 135191061
9H-imidazo[4,5-h]quinolin-4-amine
CID 136347820
7-methylidene-1H-pyrido[2,3-d]pyrimidine
CID 136447470
(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide
CID 137209276

Frequently Asked Questions

What is the IUPAC name of 6H-pyrimido[5,4-c]azepin-4-amine?
The IUPAC name of 6H-pyrimido[5,4-c]azepin-4-amine (CID 172552183) is 6H-pyrimido[5,4-c]azepin-4-amine.
What is the SMILES notation for 6H-pyrimido[5,4-c]azepin-4-amine?
The canonical SMILES for 6H-pyrimido[5,4-c]azepin-4-amine is Nc1ncnc2c1=CNC=CC=2.
What is the InChIKey of 6H-pyrimido[5,4-c]azepin-4-amine?
The InChIKey is DXTJGOPRGAJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-8-6-4-10-3-1-2-7(6)11-5-12-8/h1-5,10H,(H2,9,11,12).
What are the key properties of 6H-pyrimido[5,4-c]azepin-4-amine?
6H-pyrimido[5,4-c]azepin-4-amine has a molecular weight of 160.18 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrimido[5,4-c]azepin-4-amine is sourced from PubChem (CID 172552183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).