3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

C13H20ClN3O2 — CID 113400951

IUPAC3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCOCc1nc(Cl)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C13H20ClN3O2/c1-19-9-12-15-11(14)8-13(16-12)17-6-2-4-10(17)5-3-7-18/h8,10,18H,2-7,9H2,1H3
InChIKeyBAWUWLDMZJNFLM-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.02
Rot. Bonds6

About 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 113400951) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID113400951
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCOCc1nc(Cl)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C13H20ClN3O2/c1-19-9-12-15-11(14)8-13(16-12)17-6-2-4-10(17)5-3-7-18/h8,10,18H,2-7,9H2,1H3
InChIKeyBAWUWLDMZJNFLM-UHFFFAOYSA-N
XLogP2.02
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80951421
(4aR,8aR)-1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727533
2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076327
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129320611
3-[1-(6-chloropyridazin-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468492
3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80827064
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989
2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
CID 97055608
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 113401025
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (CID 113400951) is 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is COCc1nc(Cl)cc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BAWUWLDMZJNFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-19-9-12-15-11(14)8-13(16-12)17-6-2-4-10(17)5-3-7-18/h8,10,18H,2-7,9H2,1H3.
What are the key properties of 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 285.78 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 113400951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).