3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C13H20ClN3O — CID 63729183

IUPAC3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1nc(Cl)c(C)c(N2CCCC2CCCO)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17-7-3-5-11(17)6-4-8-18/h11,18H,3-8H2,1-2H3
InChIKeyCCYRQLZJOHXLTP-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.49
Rot. Bonds4

About 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 63729183) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID63729183
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1nc(Cl)c(C)c(N2CCCC2CCCO)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17-7-3-5-11(17)6-4-8-18/h11,18H,3-8H2,1-2H3
InChIKeyCCYRQLZJOHXLTP-UHFFFAOYSA-N
XLogP2.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 106767689
2-[1-(6-Chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 166068823
4-Chloro-6-[2-(3-methoxypropyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 169689379
3-[1-(6-Chloro-5-propylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 55228559
3-[1-(6-Chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 55228560
[1-(6-Chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 55229876
2-[1-(6-Chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 55230250
8-(6-Chloro-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55235100
8-(6-Chloro-2,5-dimethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55235101
3-[1-(6-Chloropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 62480461
3-[1-(6-Chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 62481155
2-[(6-Chloro-2,5-dimethylpyrimidin-4-yl)-cyclopentylamino]ethanol
CID 63728141

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 63729183) is 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is Cc1nc(Cl)c(C)c(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is CCYRQLZJOHXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17-7-3-5-11(17)6-4-8-18/h11,18H,3-8H2,1-2H3.
What are the key properties of 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 269.78 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 63729183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).