2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol

C12H18ClN3O2 — CID 82691796

IUPAC2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESCc1c(Cl)ncnc1N1CCC(OCCO)CC1
InChIInChI=1S/C12H18ClN3O2/c1-9-11(13)14-8-15-12(9)16-4-2-10(3-5-16)18-7-6-17/h8,10,17H,2-7H2,1H3
InChIKeyOLRPRBWJFUICMF-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.42
Rot. Bonds4

About 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol

2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol (PubChem CID 82691796) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
PubChem CID82691796
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESCc1c(Cl)ncnc1N1CCC(OCCO)CC1
InChIInChI=1S/C12H18ClN3O2/c1-9-11(13)14-8-15-12(9)16-4-2-10(3-5-16)18-7-6-17/h8,10,17H,2-7H2,1H3
InChIKeyOLRPRBWJFUICMF-UHFFFAOYSA-N
XLogP1.42
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82696062
2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82689461
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620
2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693650
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691197
2-[1-(3-amino-5-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82696655
2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693070
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine
CID 63729272
5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
CID 82691325
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82688318

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol (CID 82691796) is 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol is Cc1c(Cl)ncnc1N1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The InChIKey is OLRPRBWJFUICMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-9-11(13)14-8-15-12(9)16-4-2-10(3-5-16)18-7-6-17/h8,10,17H,2-7H2,1H3.
What are the key properties of 2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol has a molecular weight of 271.75 g/mol, XLogP of 1.42, 4 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-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).