[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

C10H13ClFN3O — CID 102784110

IUPAC[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(Cl)ncc2F)C1CO
InChIInChI=1S/C10H13ClFN3O/c1-6-2-3-15(8(6)5-16)9-7(12)4-13-10(11)14-9/h4,6,8,16H,2-3,5H2,1H3
InChIKeyNWQNARRARPPRGF-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.48
Rot. Bonds2

About [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102784110) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102784110
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(Cl)ncc2F)C1CO
InChIInChI=1S/C10H13ClFN3O/c1-6-2-3-15(8(6)5-16)9-7(12)4-13-10(11)14-9/h4,6,8,16H,2-3,5H2,1H3
InChIKeyNWQNARRARPPRGF-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
[1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 71922529
[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979550
(2S)-2-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-4-methylpentan-1-ol
CID 164640365
[1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 57990270
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79247137
(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 90458679
1-(2-Chloro-5-fluoropyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 90458681
2-chloro-4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-ol
CID 118238234
2-Chloro-4-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-ol
CID 118238235
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
CID 118246476
(3R,5S)-1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
CID 169118694

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102784110) is [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nc(Cl)ncc2F)C1CO.
What is the InChIKey of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is NWQNARRARPPRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-6-2-3-15(8(6)5-16)9-7(12)4-13-10(11)14-9/h4,6,8,16H,2-3,5H2,1H3.
What are the key properties of [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 245.68 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).