2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C12H20N4 — CID 105476583

IUPAC2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCC(N)Cc1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C12H20N4/c1-8(13)7-11-15-10-6-4-2-3-5-9(10)12(14)16-11/h8H,2-7,13H2,1H3,(H2,14,15,16)
InChIKeyJDETXVBNNIZZMG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.22
Rot. Bonds2

About 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 105476583) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID105476583
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCC(N)Cc1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C12H20N4/c1-8(13)7-11-15-10-6-4-2-3-5-9(10)12(14)16-11/h8H,2-7,13H2,1H3,(H2,14,15,16)
InChIKeyJDETXVBNNIZZMG-UHFFFAOYSA-N
XLogP1.22
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 105476583) is 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CC(N)Cc1nc(N)c2c(n1)CCCCC2.
What is the InChIKey of 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is JDETXVBNNIZZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(13)7-11-15-10-6-4-2-3-5-9(10)12(14)16-11/h8H,2-7,13H2,1H3,(H2,14,15,16).
What are the key properties of 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 105476583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).