1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine

C12H20N4 — CID 139549365

IUPAC1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine
SMILESCC(N)c1ncnc2c1CC(C)(C)CNC2
InChIInChI=1S/C12H20N4/c1-8(13)11-9-4-12(2,3)6-14-5-10(9)15-7-16-11/h7-8,14H,4-6,13H2,1-3H3
InChIKeyIGESZCOZYZQSHF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.17
Rot. Bonds1

About 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine

1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine (PubChem CID 139549365) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine
PubChem CID139549365
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine
SMILESCC(N)c1ncnc2c1CC(C)(C)CNC2
InChIInChI=1S/C12H20N4/c1-8(13)11-9-4-12(2,3)6-14-5-10(9)15-7-16-11/h7-8,14H,4-6,13H2,1-3H3
InChIKeyIGESZCOZYZQSHF-UHFFFAOYSA-N
XLogP1.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine?
The IUPAC name of 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine (CID 139549365) is 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine.
What is the SMILES notation for 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine?
The canonical SMILES for 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine is CC(N)c1ncnc2c1CC(C)(C)CNC2.
What is the InChIKey of 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine?
The InChIKey is IGESZCOZYZQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(13)11-9-4-12(2,3)6-14-5-10(9)15-7-16-11/h7-8,14H,4-6,13H2,1-3H3.
What are the key properties of 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine?
1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-c]azepin-4-yl)ethanamine is sourced from PubChem (CID 139549365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).