2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol

C14H24N4O — CID 70755675

IUPAC2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
SMILESCCc1nc(N2CCN(C)C(CCO)C2)ncc1C
InChIInChI=1S/C14H24N4O/c1-4-13-11(2)9-15-14(16-13)18-7-6-17(3)12(10-18)5-8-19/h9,12,19H,4-8,10H2,1-3H3
InChIKeySPEHGZKYPCHLTP-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.85
Rot. Bonds4

About 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol

2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol (PubChem CID 70755675) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
PubChem CID70755675
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
SMILESCCc1nc(N2CCN(C)C(CCO)C2)ncc1C
InChIInChI=1S/C14H24N4O/c1-4-13-11(2)9-15-14(16-13)18-7-6-17(3)12(10-18)5-8-19/h9,12,19H,4-8,10H2,1-3H3
InChIKeySPEHGZKYPCHLTP-UHFFFAOYSA-N
XLogP0.85
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol (CID 70755675) is 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol is CCc1nc(N2CCN(C)C(CCO)C2)ncc1C.
What is the InChIKey of 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The InChIKey is SPEHGZKYPCHLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-13-11(2)9-15-14(16-13)18-7-6-17(3)12(10-18)5-8-19/h9,12,19H,4-8,10H2,1-3H3.
What are the key properties of 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-5-methylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 70755675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).