[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol

C12H19FN4O — CID 80793581

IUPAC[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCCNc1ncc(F)c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-12-15-6-10(13)11(16-12)17-5-3-4-9(7-17)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyBVNLRNVRZPTSRJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.26
Rot. Bonds4

About [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol

[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 80793581) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID80793581
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCCNc1ncc(F)c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-12-15-6-10(13)11(16-12)17-5-3-4-9(7-17)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyBVNLRNVRZPTSRJ-UHFFFAOYSA-N
XLogP1.26
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol (CID 80793581) is [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol is CCNc1ncc(F)c(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is BVNLRNVRZPTSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-14-12-15-6-10(13)11(16-12)17-5-3-4-9(7-17)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 254.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 80793581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).