[1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol

C14H24FN5O — CID 72894367

IUPAC[1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESCN(C)c1nc(NCCN2CCCC(CO)C2)ncc1F
InChIInChI=1S/C14H24FN5O/c1-19(2)13-12(15)8-17-14(18-13)16-5-7-20-6-3-4-11(9-20)10-21/h8,11,21H,3-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyGUHDCONDVDADER-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.80
Rot. Bonds6

About [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol

[1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol (PubChem CID 72894367) has the molecular formula C14H24FN5O and a molecular weight of 297.38 g/mol. Its IUPAC name is [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
PubChem CID72894367
Molecular FormulaC14H24FN5O
Molecular Weight297.38 g/mol
Exact Mass297.20
IUPAC Name[1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESCN(C)c1nc(NCCN2CCCC(CO)C2)ncc1F
InChIInChI=1S/C14H24FN5O/c1-19(2)13-12(15)8-17-14(18-13)16-5-7-20-6-3-4-11(9-20)10-21/h8,11,21H,3-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyGUHDCONDVDADER-UHFFFAOYSA-N
XLogP0.80
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-Propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
CID 73440666
(5-Fluoro-2-pyrimidinyl)-1-piperazinebutanol
CID 129664839
2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
(1-{2-[(5-Methylpyrimidin-2-yl)amino]ethyl}piperidin-4-yl)methanol
CID 72866545
[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
CID 97199750
2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
CID 171358918
(7S,8aS)-7-hydroxymethyl-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886071
[2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
CID 21706371
[(7S)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
CID 67634175
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 70980397
(3S,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118055393
5-Amino-3-(2-chloro-5-fluoro-4-pyrimidinyl)-3-azabicyclo[3.1.0]hexane-1-methanol
CID 118878234

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol (CID 72894367) is [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol is CN(C)c1nc(NCCN2CCCC(CO)C2)ncc1F.
What is the InChIKey of [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is GUHDCONDVDADER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5O/c1-19(2)13-12(15)8-17-14(18-13)16-5-7-20-6-3-4-11(9-20)10-21/h8,11,21H,3-7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
[1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 297.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72894367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).