1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol

C13H20ClN3O2 — CID 113401051

IUPAC1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCOCc1nc(Cl)cc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-3-19-9-11-15-10(14)8-12(16-11)17-6-4-13(2,18)5-7-17/h8,18H,3-7,9H2,1-2H3
InChIKeyMDFPHSDACPKCLM-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.02
Rot. Bonds4

About 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 113401051) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID113401051
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCOCc1nc(Cl)cc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-3-19-9-11-15-10(14)8-12(16-11)17-6-4-13(2,18)5-7-17/h8,18H,3-7,9H2,1-2H3
InChIKeyMDFPHSDACPKCLM-UHFFFAOYSA-N
XLogP2.02
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

4-chloro-2-(ethoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103501007
1-(4-amino-6-chloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 104924805
4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
CID 80936627
1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109427
6-chloro-2-(ethoxymethyl)-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 113400931
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
4-chloro-2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
CID 107394107
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
1-(5-amino-6-ethoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 81097388
tert-butyl 4-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 88860765
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 113401051) is 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CCOCc1nc(Cl)cc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is MDFPHSDACPKCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-19-9-11-15-10(14)8-12(16-11)17-6-4-13(2,18)5-7-17/h8,18H,3-7,9H2,1-2H3.
What are the key properties of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 285.78 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 113401051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).