4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine

C14H23FN4O — CID 125424003

IUPAC4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)cc(N2CCN(CCCF)CC2)n1
InChIInChI=1S/C14H23FN4O/c1-12-10-14(17-13(16-12)11-20-2)19-8-6-18(7-9-19)5-3-4-15/h10H,3-9,11H2,1-2H3
InChIKeyUNAAHGWINVKOAZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.41
Rot. Bonds6

About 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine

4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine (PubChem CID 125424003) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
PubChem CID125424003
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine
SMILESCOCc1nc(C)cc(N2CCN(CCCF)CC2)n1
InChIInChI=1S/C14H23FN4O/c1-12-10-14(17-13(16-12)11-20-2)19-8-6-18(7-9-19)5-3-4-15/h10H,3-9,11H2,1-2H3
InChIKeyUNAAHGWINVKOAZ-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine?
The IUPAC name of 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine (CID 125424003) is 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine?
The canonical SMILES for 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine is COCc1nc(C)cc(N2CCN(CCCF)CC2)n1.
What is the InChIKey of 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine?
The InChIKey is UNAAHGWINVKOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-12-10-14(17-13(16-12)11-20-2)19-8-6-18(7-9-19)5-3-4-15/h10H,3-9,11H2,1-2H3.
What are the key properties of 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine?
4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine has a molecular weight of 282.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoropropyl)piperazin-1-yl]-2-(methoxymethyl)-6-methylpyrimidine is sourced from PubChem (CID 125424003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).