[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

C10H13Cl2N3O — CID 102784143

IUPAC[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(Cl)ncc2Cl)C1CO
InChIInChI=1S/C10H13Cl2N3O/c1-6-2-3-15(8(6)5-16)9-7(11)4-13-10(12)14-9/h4,6,8,16H,2-3,5H2,1H3
InChIKeyREHJCGJKBJSTJH-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.99
Rot. Bonds2

About [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102784143) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102784143
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(Cl)ncc2Cl)C1CO
InChIInChI=1S/C10H13Cl2N3O/c1-6-2-3-15(8(6)5-16)9-7(11)4-13-10(12)14-9/h4,6,8,16H,2-3,5H2,1H3
InChIKeyREHJCGJKBJSTJH-UHFFFAOYSA-N
XLogP1.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-2-methoxypyrimidine
CID 102786275
[1-(2-amino-5-bromopyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789914
2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691197
[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789926
[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 129413727
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
[1-[5-(hydroxymethyl)pyrazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 107372994
[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 114074767
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728
[1-(6-aminopyrazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789805
[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787683
[1-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784075

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102784143) is [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nc(Cl)ncc2Cl)C1CO.
What is the InChIKey of [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is REHJCGJKBJSTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6-2-3-15(8(6)5-16)9-7(11)4-13-10(12)14-9/h4,6,8,16H,2-3,5H2,1H3.
What are the key properties of [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 262.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).