[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C21H22FN5O — CID 133415910

IUPAC[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NC(c2cccc(F)c2)c2ccccn2)ncn1
InChIInChI=1S/C21H22FN5O/c22-16-6-3-5-15(11-16)21(18-8-1-2-9-23-18)26-19-12-20(25-14-24-19)27-10-4-7-17(27)13-28/h1-3,5-6,8-9,11-12,14,17,21,28H,4,7,10,13H2,(H,24,25,26)
InChIKeySZGAEBDMOCHDBI-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.17
Rot. Bonds6

About [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133415910) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133415910
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NC(c2cccc(F)c2)c2ccccn2)ncn1
InChIInChI=1S/C21H22FN5O/c22-16-6-3-5-15(11-16)21(18-8-1-2-9-23-18)26-19-12-20(25-14-24-19)27-10-4-7-17(27)13-28/h1-3,5-6,8-9,11-12,14,17,21,28H,4,7,10,13H2,(H,24,25,26)
InChIKeySZGAEBDMOCHDBI-UHFFFAOYSA-N
XLogP3.17
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 166204057
[1-[6-[1-(3-chloro-4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298672
(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
CID 133434749
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol
CID 133375898
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763839
[(2S)-1-[6-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100843210
[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133311452
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
(2R)-N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133415910) is [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NC(c2cccc(F)c2)c2ccccn2)ncn1.
What is the InChIKey of [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SZGAEBDMOCHDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-16-6-3-5-15(11-16)21(18-8-1-2-9-23-18)26-19-12-20(25-14-24-19)27-10-4-7-17(27)13-28/h1-3,5-6,8-9,11-12,14,17,21,28H,4,7,10,13H2,(H,24,25,26).
What are the key properties of [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 379.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[(3-fluorophenyl)-pyridin-2-ylmethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133415910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).