1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol

C9H13FN4O — CID 140718719

IUPAC1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESNc1ncnc(N2CCC(O)CC2)c1F
InChIInChI=1S/C9H13FN4O/c10-7-8(11)12-5-13-9(7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2,(H2,11,12,13)
InChIKeyFLOMFSVVZUHNRT-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.16
Rot. Bonds1

About 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol

1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol (PubChem CID 140718719) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
PubChem CID140718719
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESNc1ncnc(N2CCC(O)CC2)c1F
InChIInChI=1S/C9H13FN4O/c10-7-8(11)12-5-13-9(7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2,(H2,11,12,13)
InChIKeyFLOMFSVVZUHNRT-UHFFFAOYSA-N
XLogP0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-2-(piperidin-4-yloxy)pyrimidin-4-amine
CID 44542266
4-(4-Amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile
CID 59744038
1-(5-Fluoropyrimidin-2-yl)piperidin-4-ol
CID 60137812
O-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]hydroxylamine
CID 68281168
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-1-ium-1-yl]methanol
CID 70976625
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 70980397
1-(5,6-Difluoropyrimidin-4-yl)piperidin-4-ol
CID 71091873
(+)-(3S,4R)-1-(4-Aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol
CID 90176667
1-(4-Aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol
CID 90176669
(+/-)-1-(4-Aminopyrimidin-2-yl)-cis-3-fluoropiperidin-4-ol
CID 90176955
(3S,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
CID 118046972
(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118055393

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol (CID 140718719) is 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol is Nc1ncnc(N2CCC(O)CC2)c1F.
What is the InChIKey of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is FLOMFSVVZUHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-8(11)12-5-13-9(7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2,(H2,11,12,13).
What are the key properties of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol?
1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 212.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 140718719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).