(3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol

C13H15FN4O — CID 175988167

IUPAC(3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESC[C@@]1(O)CCCN(c2ncnc3c(F)cncc23)C1
InChIInChI=1S/C13H15FN4O/c1-13(19)3-2-4-18(7-13)12-9-5-15-6-10(14)11(9)16-8-17-12/h5-6,8,19H,2-4,7H2,1H3/t13-/m1/s1
InChIKeyYBEJWUBFDWSXMA-CYBMUJFWSA-N
MW262.29 g/mol
LogP1.52
Rot. Bonds1

About (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol

(3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (PubChem CID 175988167) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
PubChem CID175988167
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESC[C@@]1(O)CCCN(c2ncnc3c(F)cncc23)C1
InChIInChI=1S/C13H15FN4O/c1-13(19)3-2-4-18(7-13)12-9-5-15-6-10(14)11(9)16-8-17-12/h5-6,8,19H,2-4,7H2,1H3/t13-/m1/s1
InChIKeyYBEJWUBFDWSXMA-CYBMUJFWSA-N
XLogP1.52
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The IUPAC name of (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (CID 175988167) is (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is C[C@@]1(O)CCCN(c2ncnc3c(F)cncc23)C1.
What is the InChIKey of (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The InChIKey is YBEJWUBFDWSXMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-13(19)3-2-4-18(7-13)12-9-5-15-6-10(14)11(9)16-8-17-12/h5-6,8,19H,2-4,7H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
(3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol has a molecular weight of 262.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 175988167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).