1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol

C10H15FN4O — CID 81108414

IUPAC1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C10H15FN4O/c1-10(16)2-4-15(5-3-10)8-7(11)6-13-9(12)14-8/h6,16H,2-5H2,1H3,(H2,12,13,14)
InChIKeyXIDHQEUUWYEUNH-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.55
Rot. Bonds1

About 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol

1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol (PubChem CID 81108414) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol
PubChem CID81108414
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C10H15FN4O/c1-10(16)2-4-15(5-3-10)8-7(11)6-13-9(12)14-8/h6,16H,2-5H2,1H3,(H2,12,13,14)
InChIKeyXIDHQEUUWYEUNH-UHFFFAOYSA-N
XLogP0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol (CID 81108414) is 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2nc(N)ncc2F)CC1.
What is the InChIKey of 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
The InChIKey is XIDHQEUUWYEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-10(16)2-4-15(5-3-10)8-7(11)6-13-9(12)14-8/h6,16H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol?
1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol has a molecular weight of 226.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoropyrimidin-4-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81108414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).