[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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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).