4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine

C13H15FN6O — CID 154583091

IUPAC4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCN(c3ncncc3F)CC2)ncn1
InChIInChI=1S/C13H15FN6O/c1-21-12-6-11(16-9-17-12)19-2-4-20(5-3-19)13-10(14)7-15-8-18-13/h6-9H,2-5H2,1H3
InChIKeyRWNFOFZXCIIKIT-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.74
Rot. Bonds3

About 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine

4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine (PubChem CID 154583091) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine
PubChem CID154583091
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCN(c3ncncc3F)CC2)ncn1
InChIInChI=1S/C13H15FN6O/c1-21-12-6-11(16-9-17-12)19-2-4-20(5-3-19)13-10(14)7-15-8-18-13/h6-9H,2-5H2,1H3
InChIKeyRWNFOFZXCIIKIT-UHFFFAOYSA-N
XLogP0.74
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine (CID 154583091) is 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCN(c3ncncc3F)CC2)ncn1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine?
The InChIKey is RWNFOFZXCIIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c1-21-12-6-11(16-9-17-12)19-2-4-20(5-3-19)13-10(14)7-15-8-18-13/h6-9H,2-5H2,1H3.
What are the key properties of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine?
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-methoxypyrimidine has a molecular weight of 290.30 g/mol, XLogP of 0.74, 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]-6-methoxypyrimidine is sourced from PubChem (CID 154583091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).