6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

C14H17FN6 — CID 19137206

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N
InChIInChI=1S/C14H17FN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14-12(16)13(17)18-9-19-14/h1-4,9H,5-8,16H2,(H2,17,18,19)
InChIKeyUNFVFAAWITYTOK-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.11
Rot. Bonds2

About 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine (PubChem CID 19137206) has the molecular formula C14H17FN6 and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
PubChem CID19137206
Molecular FormulaC14H17FN6
Molecular Weight288.33 g/mol
Exact Mass288.15
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N
InChIInChI=1S/C14H17FN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14-12(16)13(17)18-9-19-14/h1-4,9H,5-8,16H2,(H2,17,18,19)
InChIKeyUNFVFAAWITYTOK-UHFFFAOYSA-N
XLogP1.11
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine (CID 19137206) is 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine is Nc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The InChIKey is UNFVFAAWITYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14-12(16)13(17)18-9-19-14/h1-4,9H,5-8,16H2,(H2,17,18,19).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine has a molecular weight of 288.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19137206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).