2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol

C11H17ClN4O2 — CID 82693070

IUPAC2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESNc1ncc(Cl)c(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2,(H2,13,14,15)
InChIKeyWFOKPFFLRQPWJL-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.69
Rot. Bonds4

About 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol

2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol (PubChem CID 82693070) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
PubChem CID82693070
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESNc1ncc(Cl)c(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2,(H2,13,14,15)
InChIKeyWFOKPFFLRQPWJL-UHFFFAOYSA-N
XLogP0.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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)pyrrolidin-3-yl]ethanol
CID 114802870
2-[1-(5-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82696062
5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
CID 82691325
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
CID 80817865
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796
5-chloro-4-[4-(2-chloroethoxy)piperidin-1-yl]pyrimidine
CID 105370712
2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693650

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol (CID 82693070) is 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol is Nc1ncc(Cl)c(N2CCC(OCCO)CC2)n1.
What is the InChIKey of 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The InChIKey is WFOKPFFLRQPWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2,(H2,13,14,15).
What are the key properties of 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol has a molecular weight of 272.74 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82693070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).