2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol

C12H20N4O2 — CID 136551352

IUPAC2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCOc1c(C)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C12H20N4O2/c1-10-11(18-2)12(14-9-13-10)16-5-3-15(4-6-16)7-8-17/h9,17H,3-8H2,1-2H3
InChIKeyPTLSFDSNEJEMSC-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.09
Rot. Bonds4

About 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 136551352) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID136551352
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCOc1c(C)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C12H20N4O2/c1-10-11(18-2)12(14-9-13-10)16-5-3-15(4-6-16)7-8-17/h9,17H,3-8H2,1-2H3
InChIKeyPTLSFDSNEJEMSC-UHFFFAOYSA-N
XLogP-0.09
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226746
1-(5-methoxy-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 83838867
5-methoxy-4-methyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidine
CID 138005559
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137084
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446
2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
methyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28848426
2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 22540705
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
2-[4-(5-amino-6-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140663
2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66331325
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 136551352) is 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol is COc1c(C)ncnc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is PTLSFDSNEJEMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10-11(18-2)12(14-9-13-10)16-5-3-15(4-6-16)7-8-17/h9,17H,3-8H2,1-2H3.
What are the key properties of 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 136551352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).