(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol

C9H13FN4O — CID 121360873

IUPAC(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESNc1ncnc([C@@H]2CNCC[C@@H]2O)c1F
InChIInChI=1S/C9H13FN4O/c10-7-8(13-4-14-9(7)11)5-3-12-2-1-6(5)15/h4-6,12,15H,1-3H2,(H2,11,13,14)/t5-,6+/m1/s1
InChIKeyOTJRDPVVCYVRPC-RITPCOANSA-N
MW212.23 g/mol
LogP-0.36
Rot. Bonds1

About (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol

(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol (PubChem CID 121360873) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
PubChem CID121360873
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESNc1ncnc([C@@H]2CNCC[C@@H]2O)c1F
InChIInChI=1S/C9H13FN4O/c10-7-8(13-4-14-9(7)11)5-3-12-2-1-6(5)15/h4-6,12,15H,1-3H2,(H2,11,13,14)/t5-,6+/m1/s1
InChIKeyOTJRDPVVCYVRPC-RITPCOANSA-N
XLogP-0.36
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol (CID 121360873) is (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol is Nc1ncnc([C@@H]2CNCC[C@@H]2O)c1F.
What is the InChIKey of (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is OTJRDPVVCYVRPC-RITPCOANSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-8(13-4-14-9(7)11)5-3-12-2-1-6(5)15/h4-6,12,15H,1-3H2,(H2,11,13,14)/t5-,6+/m1/s1.
What are the key properties of (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 212.23 g/mol, XLogP of -0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 121360873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).