[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

C10H14ClN3O — CID 79075782

IUPAC[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1cnc(Cl)nc1N1CCCC1CO
InChIInChI=1S/C10H14ClN3O/c1-7-5-12-10(11)13-9(7)14-4-2-3-8(14)6-15/h5,8,15H,2-4,6H2,1H3
InChIKeyQCMFMUNSOFOEMW-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.40
Rot. Bonds2

About [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 79075782) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID79075782
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1cnc(Cl)nc1N1CCCC1CO
InChIInChI=1S/C10H14ClN3O/c1-7-5-12-10(11)13-9(7)14-4-2-3-8(14)6-15/h5,8,15H,2-4,6H2,1H3
InChIKeyQCMFMUNSOFOEMW-UHFFFAOYSA-N
XLogP1.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 79075237
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
1-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 79072823
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788
[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 79727661
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 106876337
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
4-(2-chloro-5-methylpyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 79072587
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 137363254

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 79075782) is [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is Cc1cnc(Cl)nc1N1CCCC1CO.
What is the InChIKey of [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is QCMFMUNSOFOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-5-12-10(11)13-9(7)14-4-2-3-8(14)6-15/h5,8,15H,2-4,6H2,1H3.
What are the key properties of [1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 227.69 g/mol, XLogP of 1.40, 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-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79075782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).