4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine

C15H20FN7 — CID 154883377

IUPAC4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncncc3F)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H20FN7/c1-11-8-13(20-15(19-11)21(2)3)22-4-6-23(7-5-22)14-12(16)9-17-10-18-14/h8-10H,4-7H2,1-3H3
InChIKeyQBKLHBKZTRXVCS-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.11
Rot. Bonds3

About 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine

4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 154883377) has the molecular formula C15H20FN7 and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
PubChem CID154883377
Molecular FormulaC15H20FN7
Molecular Weight317.37 g/mol
Exact Mass317.18
IUPAC Name4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncncc3F)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H20FN7/c1-11-8-13(20-15(19-11)21(2)3)22-4-6-23(7-5-22)14-12(16)9-17-10-18-14/h8-10H,4-7H2,1-3H3
InChIKeyQBKLHBKZTRXVCS-UHFFFAOYSA-N
XLogP1.11
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-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-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (CID 154883377) is 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is Cc1cc(N2CCN(c3ncncc3F)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is QBKLHBKZTRXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN7/c1-11-8-13(20-15(19-11)21(2)3)22-4-6-23(7-5-22)14-12(16)9-17-10-18-14/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 317.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 154883377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).