[1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium

C9H15FN5O+ — CID 149288426

IUPAC[1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium
SMILESNc1ncnc(N2CCC(O)C([NH3+])C2)c1F
InChIInChI=1S/C9H14FN5O/c10-7-8(12)13-4-14-9(7)15-2-1-6(16)5(11)3-15/h4-6,16H,1-3,11H2,(H2,12,13,14)/p+1
InChIKeyXUJCMWDEGYKSAY-UHFFFAOYSA-O
MW228.25 g/mol
LogP-1.62
Rot. Bonds1

About [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium

[1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium (PubChem CID 149288426) has the molecular formula C9H15FN5O+ and a molecular weight of 228.25 g/mol. Its IUPAC name is [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium.

Molecular Properties

Compound Name[1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium
PubChem CID149288426
Molecular FormulaC9H15FN5O+
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name[1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium
SMILESNc1ncnc(N2CCC(O)C([NH3+])C2)c1F
InChIInChI=1S/C9H14FN5O/c10-7-8(12)13-4-14-9(7)15-2-1-6(16)5(11)3-15/h4-6,16H,1-3,11H2,(H2,12,13,14)/p+1
InChIKeyXUJCMWDEGYKSAY-UHFFFAOYSA-O
XLogP-1.62
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium with MolForge

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Related Compounds

1-(5,6-Difluoropyrimidin-4-yl)piperidin-4-ol
CID 71091873
(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
1-(6-Amino-5-fluoropyrimidin-4-yl)-3-(chloroamino)piperidin-4-ol
CID 123218553
3-Amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
CID 123328215
6-(3-Aminopiperidin-1-yl)-5-fluoropyrimidin-4-amine
CID 123706377
(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 138511172
1-(6-Amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
CID 140718719
6-[(3R)-3-aminopiperidin-1-yl]-5-fluoropyrimidin-4-amine
CID 145680505
(3R,4R)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol
CID 156497023
4-[[(5,6-Difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol
CID 156497026
(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]piperidin-3-ol
CID 156511770

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium?
The IUPAC name of [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium (CID 149288426) is [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium.
What is the SMILES notation for [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium?
The canonical SMILES for [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium is Nc1ncnc(N2CCC(O)C([NH3+])C2)c1F.
What is the InChIKey of [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium?
The InChIKey is XUJCMWDEGYKSAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14FN5O/c10-7-8(12)13-4-14-9(7)15-2-1-6(16)5(11)3-15/h4-6,16H,1-3,11H2,(H2,12,13,14)/p+1.
What are the key properties of [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium?
[1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium has a molecular weight of 228.25 g/mol, XLogP of -1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-5-fluoropyrimidin-4-yl)-4-hydroxypiperidin-3-yl]azanium is sourced from PubChem (CID 149288426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).