9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine

C19H25N5 — CID 25129169

IUPAC9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1
InChIInChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)
InChIKeyLTSQOGQDXSXTPV-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.33
Rot. Bonds2

About 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine

9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine (PubChem CID 25129169) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
PubChem CID25129169
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1
InChIInChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)
InChIKeyLTSQOGQDXSXTPV-UHFFFAOYSA-N
XLogP2.33
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The IUPAC name of 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine (CID 25129169) is 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine.
What is the SMILES notation for 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The canonical SMILES for 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine is Nc1nc2c(c(N3CCNCC3)n1)CCCCC2c1ccccc1.
What is the InChIKey of 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The InChIKey is LTSQOGQDXSXTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23).
What are the key properties of 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine has a molecular weight of 323.44 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine is sourced from PubChem (CID 25129169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).