2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol

C11H17ClN4O — CID 14479558

IUPAC2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H17ClN4O/c1-9-13-10(12)8-11(14-9)16-4-2-15(3-5-16)6-7-17/h8,17H,2-7H2,1H3
InChIKeyNIIXBFHSTHMFFD-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.55
Rot. Bonds3

About 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 14479558) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID14479558
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C11H17ClN4O/c1-9-13-10(12)8-11(14-9)16-4-2-15(3-5-16)6-7-17/h8,17H,2-7H2,1H3
InChIKeyNIIXBFHSTHMFFD-UHFFFAOYSA-N
XLogP0.55
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 14479558) is 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol is Cc1nc(Cl)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is NIIXBFHSTHMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-9-13-10(12)8-11(14-9)16-4-2-15(3-5-16)6-7-17/h8,17H,2-7H2,1H3.
What are the key properties of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 256.74 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 14479558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).