2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol

C15H25ClN4O — CID 133437535

IUPAC2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol
SMILESCCc1c(Cl)nc(C)nc1N1CCC(N(C)CCO)CC1
InChIInChI=1S/C15H25ClN4O/c1-4-13-14(16)17-11(2)18-15(13)20-7-5-12(6-8-20)19(3)9-10-21/h12,21H,4-10H2,1-3H3
InChIKeyPXPRNKVWMSQSOT-UHFFFAOYSA-N
MW312.85 g/mol
LogP1.89
Rot. Bonds5

About 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol

2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol (PubChem CID 133437535) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol
PubChem CID133437535
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol
SMILESCCc1c(Cl)nc(C)nc1N1CCC(N(C)CCO)CC1
InChIInChI=1S/C15H25ClN4O/c1-4-13-14(16)17-11(2)18-15(13)20-7-5-12(6-8-20)19(3)9-10-21/h12,21H,4-10H2,1-3H3
InChIKeyPXPRNKVWMSQSOT-UHFFFAOYSA-N
XLogP1.89
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol (CID 133437535) is 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol is CCc1c(Cl)nc(C)nc1N1CCC(N(C)CCO)CC1.
What is the InChIKey of 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol?
The InChIKey is PXPRNKVWMSQSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-4-13-14(16)17-11(2)18-15(13)20-7-5-12(6-8-20)19(3)9-10-21/h12,21H,4-10H2,1-3H3.
What are the key properties of 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol?
2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol has a molecular weight of 312.85 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 133437535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).