[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

C11H16ClN3O — CID 112627020

IUPAC[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1c(Cl)ncnc1N1CCC(CO)C1
InChIInChI=1S/C11H16ClN3O/c1-2-9-10(12)13-7-14-11(9)15-4-3-8(5-15)6-16/h7-8,16H,2-6H2,1H3
InChIKeyVZHCNZLBDIZXIO-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.51
Rot. Bonds3

About [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 112627020) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID112627020
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1c(Cl)ncnc1N1CCC(CO)C1
InChIInChI=1S/C11H16ClN3O/c1-2-9-10(12)13-7-14-11(9)15-4-3-8(5-15)6-16/h7-8,16H,2-6H2,1H3
InChIKeyVZHCNZLBDIZXIO-UHFFFAOYSA-N
XLogP1.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106670902
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 63980185
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
CID 103536691
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
[1-(6-chloro-5-nitropyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627029
(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959798
1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112626332
1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460
4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
CID 63728895
[1-(6-amino-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629520
4-chloro-5-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidine
CID 55229676

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 112627020) is [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is CCc1c(Cl)ncnc1N1CCC(CO)C1.
What is the InChIKey of [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is VZHCNZLBDIZXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-9-10(12)13-7-14-11(9)15-4-3-8(5-15)6-16/h7-8,16H,2-6H2,1H3.
What are the key properties of [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 241.72 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112627020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).