[1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol

C14H24FN5O — CID 131895205

IUPAC[1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol
SMILESCNc1nc(NCCCN2CCCCC2CO)ncc1F
InChIInChI=1S/C14H24FN5O/c1-16-13-12(15)9-18-14(19-13)17-6-4-8-20-7-3-2-5-11(20)10-21/h9,11,21H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyPTPGIKDFPYZAJA-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.31
Rot. Bonds7

About [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol

[1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol (PubChem CID 131895205) has the molecular formula C14H24FN5O and a molecular weight of 297.38 g/mol. Its IUPAC name is [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol
PubChem CID131895205
Molecular FormulaC14H24FN5O
Molecular Weight297.38 g/mol
Exact Mass297.20
IUPAC Name[1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol
SMILESCNc1nc(NCCCN2CCCCC2CO)ncc1F
InChIInChI=1S/C14H24FN5O/c1-16-13-12(15)9-18-14(19-13)17-6-4-8-20-7-3-2-5-11(20)10-21/h9,11,21H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyPTPGIKDFPYZAJA-UHFFFAOYSA-N
XLogP1.31
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 70856437
[1-(Pyrimidin-4-yl)piperidin-2-yl]methanol
CID 61254152
2-{[5-Fluoro-2-(4-morpholinyl)-4-pyrimidinyl]amino}ethanol
CID 1945080
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
(1-{3-[(2-Amino-5-ethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72910877
2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 151901268
(5-Fluoro-2-pyrimidinyl)-1-piperazinebutanol
CID 129664839
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745
trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 50961909
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
2-[[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol
CID 75482946

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol (CID 131895205) is [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol is CNc1nc(NCCCN2CCCCC2CO)ncc1F.
What is the InChIKey of [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol?
The InChIKey is PTPGIKDFPYZAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5O/c1-16-13-12(15)9-18-14(19-13)17-6-4-8-20-7-3-2-5-11(20)10-21/h9,11,21H,2-8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol?
[1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol has a molecular weight of 297.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 131895205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).