2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C23H30ClFN4OS — CID 143792020

IUPAC2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC/C=C(\C=C(/C)Cl)C1CCN(c2nc3c(c(NC/C=C\C=C(/C)F)n2)S(=O)CC3)CC1
InChIInChI=1S/C23H30ClFN4OS/c1-4-18(15-16(2)24)19-8-12-29(13-9-19)23-27-20-10-14-31(30)21(20)22(28-23)26-11-6-5-7-17(3)25/h4-7,15,19H,8-14H2,1-3H3,(H,26,27,28)/b6-5-,16-15+,17-7+,18-4+
InChIKeyQWSDXYXYAXHWFQ-HSMLDHADSA-N
MW465.04 g/mol
LogP5.29
Rot. Bonds7

About 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 143792020) has the molecular formula C23H30ClFN4OS and a molecular weight of 465.04 g/mol. Its IUPAC name is 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID143792020
Molecular FormulaC23H30ClFN4OS
Molecular Weight465.04 g/mol
Exact Mass464.18
IUPAC Name2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC/C=C(\C=C(/C)Cl)C1CCN(c2nc3c(c(NC/C=C\C=C(/C)F)n2)S(=O)CC3)CC1
InChIInChI=1S/C23H30ClFN4OS/c1-4-18(15-16(2)24)19-8-12-29(13-9-19)23-27-20-10-14-31(30)21(20)22(28-23)26-11-6-5-7-17(3)25/h4-7,15,19H,8-14H2,1-3H3,(H,26,27,28)/b6-5-,16-15+,17-7+,18-4+
InChIKeyQWSDXYXYAXHWFQ-HSMLDHADSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-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 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 143792020) is 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C/C=C(\C=C(/C)Cl)C1CCN(c2nc3c(c(NC/C=C\C=C(/C)F)n2)S(=O)CC3)CC1.
What is the InChIKey of 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QWSDXYXYAXHWFQ-HSMLDHADSA-N. The full InChI is InChI=1S/C23H30ClFN4OS/c1-4-18(15-16(2)24)19-8-12-29(13-9-19)23-27-20-10-14-31(30)21(20)22(28-23)26-11-6-5-7-17(3)25/h4-7,15,19H,8-14H2,1-3H3,(H,26,27,28)/b6-5-,16-15+,17-7+,18-4+.
What are the key properties of 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 465.04 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2Z,4E)-5-chlorohexa-2,4-dien-3-yl]piperidin-1-yl]-N-[(2Z,4E)-5-fluorohexa-2,4-dienyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 143792020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).