N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine

C20H28FN5 — CID 112923645

IUPACN-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCCCCN(C)c1nc(C)cc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H28FN5/c1-4-5-10-24(3)20-22-16(2)15-19(23-20)26-13-11-25(12-14-26)18-9-7-6-8-17(18)21/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyKSFJZLDNCRPPMW-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.49
Rot. Bonds6

About N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine

N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 112923645) has the molecular formula C20H28FN5 and a molecular weight of 357.48 g/mol. Its IUPAC name is N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
PubChem CID112923645
Molecular FormulaC20H28FN5
Molecular Weight357.48 g/mol
Exact Mass357.23
IUPAC NameN-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCCCCN(C)c1nc(C)cc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H28FN5/c1-4-5-10-24(3)20-22-16(2)15-19(23-20)26-13-11-25(12-14-26)18-9-7-6-8-17(18)21/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyKSFJZLDNCRPPMW-UHFFFAOYSA-N
XLogP3.49
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine (CID 112923645) is N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine is CCCCN(C)c1nc(C)cc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is KSFJZLDNCRPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5/c1-4-5-10-24(3)20-22-16(2)15-19(23-20)26-13-11-25(12-14-26)18-9-7-6-8-17(18)21/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 357.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 112923645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).