4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine

C16H22FN5 — CID 71906582

IUPAC4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine
SMILESCCc1ncnc(N2CCC(c3cnn(CC)c3)CC2)c1F
InChIInChI=1S/C16H22FN5/c1-3-14-15(17)16(19-11-18-14)21-7-5-12(6-8-21)13-9-20-22(4-2)10-13/h9-12H,3-8H2,1-2H3
InChIKeyZJEFVSDQFQEKDC-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.78
Rot. Bonds4

About 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine

4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine (PubChem CID 71906582) has the molecular formula C16H22FN5 and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine
PubChem CID71906582
Molecular FormulaC16H22FN5
Molecular Weight303.39 g/mol
Exact Mass303.19
IUPAC Name4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine
SMILESCCc1ncnc(N2CCC(c3cnn(CC)c3)CC2)c1F
InChIInChI=1S/C16H22FN5/c1-3-14-15(17)16(19-11-18-14)21-7-5-12(6-8-21)13-9-20-22(4-2)10-13/h9-12H,3-8H2,1-2H3
InChIKeyZJEFVSDQFQEKDC-UHFFFAOYSA-N
XLogP2.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine (CID 71906582) is 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine is CCc1ncnc(N2CCC(c3cnn(CC)c3)CC2)c1F.
What is the InChIKey of 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine?
The InChIKey is ZJEFVSDQFQEKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/c1-3-14-15(17)16(19-11-18-14)21-7-5-12(6-8-21)13-9-20-22(4-2)10-13/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine?
4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine has a molecular weight of 303.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 71906582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).