4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine

C18H24FN5O — CID 163350251

IUPAC4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(Cc3ccc(OC)nc3)C(C)C2)c1F
InChIInChI=1S/C18H24FN5O/c1-4-15-17(19)18(22-12-21-15)24-8-7-23(13(2)10-24)11-14-5-6-16(25-3)20-9-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3
InChIKeyBDCUHQHVGKFOKG-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.29
Rot. Bonds5

About 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 163350251) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
PubChem CID163350251
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(Cc3ccc(OC)nc3)C(C)C2)c1F
InChIInChI=1S/C18H24FN5O/c1-4-15-17(19)18(22-12-21-15)24-8-7-23(13(2)10-24)11-14-5-6-16(25-3)20-9-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3
InChIKeyBDCUHQHVGKFOKG-UHFFFAOYSA-N
XLogP2.29
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine (CID 163350251) is 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine is CCc1ncnc(N2CCN(Cc3ccc(OC)nc3)C(C)C2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is BDCUHQHVGKFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-4-15-17(19)18(22-12-21-15)24-8-7-23(13(2)10-24)11-14-5-6-16(25-3)20-9-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 345.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 163350251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).