6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine

C22H25FN6 — CID 89446774

IUPAC6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine
SMILESNCC(c1ccccc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6/c23-18-8-6-17(7-9-18)20-21(25)26-15-27-22(20)29-12-10-28(11-13-29)19(14-24)16-4-2-1-3-5-16/h1-9,15,19H,10-14,24H2,(H2,25,26,27)
InChIKeyDIAQYSLZMGCMGJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.69
Rot. Bonds5

About 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine

6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine (PubChem CID 89446774) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine
PubChem CID89446774
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine
SMILESNCC(c1ccccc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6/c23-18-8-6-17(7-9-18)20-21(25)26-15-27-22(20)29-12-10-28(11-13-29)19(14-24)16-4-2-1-3-5-16/h1-9,15,19H,10-14,24H2,(H2,25,26,27)
InChIKeyDIAQYSLZMGCMGJ-UHFFFAOYSA-N
XLogP2.69
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine (CID 89446774) is 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine is NCC(c1ccccc1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is DIAQYSLZMGCMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c23-18-8-6-17(7-9-18)20-21(25)26-15-27-22(20)29-12-10-28(11-13-29)19(14-24)16-4-2-1-3-5-16/h1-9,15,19H,10-14,24H2,(H2,25,26,27).
What are the key properties of 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine?
6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 392.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-amino-1-phenylethyl)piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 89446774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).