4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine

C19H29N5 — CID 23583648

IUPAC4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
SMILESCC1=C(/C=C/c2cc(N3CCNCC3)nc(N)n2)C(C)(C)CCC1
InChIInChI=1S/C19H29N5/c1-14-5-4-8-19(2,3)16(14)7-6-15-13-17(23-18(20)22-15)24-11-9-21-10-12-24/h6-7,13,21H,4-5,8-12H2,1-3H3,(H2,20,22,23)/b7-6+
InChIKeyDLLHNZOZFJTNBQ-VOTSOKGWSA-N
MW327.48 g/mol
LogP3.01
Rot. Bonds3

About 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine

4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine (PubChem CID 23583648) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
PubChem CID23583648
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
SMILESCC1=C(/C=C/c2cc(N3CCNCC3)nc(N)n2)C(C)(C)CCC1
InChIInChI=1S/C19H29N5/c1-14-5-4-8-19(2,3)16(14)7-6-15-13-17(23-18(20)22-15)24-11-9-21-10-12-24/h6-7,13,21H,4-5,8-12H2,1-3H3,(H2,20,22,23)/b7-6+
InChIKeyDLLHNZOZFJTNBQ-VOTSOKGWSA-N
XLogP3.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine (CID 23583648) is 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine is CC1=C(/C=C/c2cc(N3CCNCC3)nc(N)n2)C(C)(C)CCC1.
What is the InChIKey of 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is DLLHNZOZFJTNBQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H29N5/c1-14-5-4-8-19(2,3)16(14)7-6-15-13-17(23-18(20)22-15)24-11-9-21-10-12-24/h6-7,13,21H,4-5,8-12H2,1-3H3,(H2,20,22,23)/b7-6+.
What are the key properties of 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 327.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 23583648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).