2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol

C13H22FN5O — CID 145011932

IUPAC2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol
SMILESCNc1ncnc(NCC2(CCO)CCNCC2)c1F
InChIInChI=1S/C13H22FN5O/c1-15-11-10(14)12(19-9-18-11)17-8-13(4-7-20)2-5-16-6-3-13/h9,16,20H,2-8H2,1H3,(H2,15,17,18,19)
InChIKeyBGEANIKBTSEAJS-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.82
Rot. Bonds6

About 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol

2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol (PubChem CID 145011932) has the molecular formula C13H22FN5O and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol
PubChem CID145011932
Molecular FormulaC13H22FN5O
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol
SMILESCNc1ncnc(NCC2(CCO)CCNCC2)c1F
InChIInChI=1S/C13H22FN5O/c1-15-11-10(14)12(19-9-18-11)17-8-13(4-7-20)2-5-16-6-3-13/h9,16,20H,2-8H2,1H3,(H2,15,17,18,19)
InChIKeyBGEANIKBTSEAJS-UHFFFAOYSA-N
XLogP0.82
TPSA82.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
CID 97199750
(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
(3S,4S)-4-[[[6-(cyclopropylamino)-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-3-ol
CID 156511817
(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]-1-ethylpiperidin-3-ol
CID 156519603
(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]-1-methylpiperidin-3-ol
CID 156792494
{3-(Cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 70729342
[1-(2-{[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)piperidin-3-YL]methanol
CID 72894367
[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756041
[1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756044
[1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol (CID 145011932) is 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol is CNc1ncnc(NCC2(CCO)CCNCC2)c1F.
What is the InChIKey of 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol?
The InChIKey is BGEANIKBTSEAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5O/c1-15-11-10(14)12(19-9-18-11)17-8-13(4-7-20)2-5-16-6-3-13/h9,16,20H,2-8H2,1H3,(H2,15,17,18,19).
What are the key properties of 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol?
2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol has a molecular weight of 283.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[5-fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 145011932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).