[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol

C10H15FN4O — CID 70980397

IUPAC[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNc1ncc(F)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C10H15FN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-16)2-4-15/h5,7,16H,1-4,6H2,(H2,12,13,14)
InChIKeyQUNLOCJQRVOFSH-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.41
Rot. Bonds2

About [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol

[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 70980397) 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)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID70980397
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
SMILESNc1ncc(F)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C10H15FN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-16)2-4-15/h5,7,16H,1-4,6H2,(H2,12,13,14)
InChIKeyQUNLOCJQRVOFSH-UHFFFAOYSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
2-Butoxy-5-fluoro-4-piperidin-1-ylpyrimidine
CID 174668818
5-Fluoro-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 43822498
(1-{2-[(5-Methylpyrimidin-2-yl)amino]ethyl}piperidin-4-yl)methanol
CID 72866545
(4S)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72896274
[1-(6-Amino-5-chloropyrimidin-4-yl)piperidin-4-yl]methanol
CID 86814960
[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
CID 97199750
[1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 57990270
4-(4-Amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile
CID 59744038

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol (CID 70980397) is [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol is Nc1ncc(F)c(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is QUNLOCJQRVOFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-16)2-4-15/h5,7,16H,1-4,6H2,(H2,12,13,14).
What are the key properties of [1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 226.25 g/mol, XLogP of 0.41, 2 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)piperidin-4-yl]methanol is sourced from PubChem (CID 70980397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).