5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine

C25H37FN8O — CID 58320437

IUPAC5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
SMILESCc1ccc(N2CCN(c3nc(NCCN4CCNCC4)nc(N4CCOCC4)c3F)CC2)cc1
InChIInChI=1S/C25H37FN8O/c1-20-2-4-21(5-3-20)32-12-14-33(15-13-32)23-22(26)24(34-16-18-35-19-17-34)30-25(29-23)28-8-11-31-9-6-27-7-10-31/h2-5,27H,6-19H2,1H3,(H,28,29,30)
InChIKeyDODUJZLVNOFHTL-UHFFFAOYSA-N
MW484.62 g/mol
LogP1.40
Rot. Bonds7

About 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine

5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine (PubChem CID 58320437) has the molecular formula C25H37FN8O and a molecular weight of 484.62 g/mol. Its IUPAC name is 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
PubChem CID58320437
Molecular FormulaC25H37FN8O
Molecular Weight484.62 g/mol
Exact Mass484.31
IUPAC Name5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
SMILESCc1ccc(N2CCN(c3nc(NCCN4CCNCC4)nc(N4CCOCC4)c3F)CC2)cc1
InChIInChI=1S/C25H37FN8O/c1-20-2-4-21(5-3-20)32-12-14-33(15-13-32)23-22(26)24(34-16-18-35-19-17-34)30-25(29-23)28-8-11-31-9-6-27-7-10-31/h2-5,27H,6-19H2,1H3,(H,28,29,30)
InChIKeyDODUJZLVNOFHTL-UHFFFAOYSA-N
XLogP1.40
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)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 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine (CID 58320437) is 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine is Cc1ccc(N2CCN(c3nc(NCCN4CCNCC4)nc(N4CCOCC4)c3F)CC2)cc1.
What is the InChIKey of 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
The InChIKey is DODUJZLVNOFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN8O/c1-20-2-4-21(5-3-20)32-12-14-33(15-13-32)23-22(26)24(34-16-18-35-19-17-34)30-25(29-23)28-8-11-31-9-6-27-7-10-31/h2-5,27H,6-19H2,1H3,(H,28,29,30).
What are the key properties of 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine has a molecular weight of 484.62 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-morpholin-4-yl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 58320437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).