[4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol

C13H22N4O2 — CID 138019072

IUPAC[4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
SMILESCCOc1cc(N2CCN(C)C(CO)C2)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-4-19-13-7-12(14-10(2)15-13)17-6-5-16(3)11(8-17)9-18/h7,11,18H,4-6,8-9H2,1-3H3
InChIKeyVSLCTUDARVKFHM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.30
Rot. Bonds4

About [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol

[4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol (PubChem CID 138019072) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
PubChem CID138019072
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
SMILESCCOc1cc(N2CCN(C)C(CO)C2)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-4-19-13-7-12(14-10(2)15-13)17-6-5-16(3)11(8-17)9-18/h7,11,18H,4-6,8-9H2,1-3H3
InChIKeyVSLCTUDARVKFHM-UHFFFAOYSA-N
XLogP0.30
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-4-amine
CID 66332707
4-[3-(bromomethyl)pyrrolidin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 80679971
2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66333920
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 138019107
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328
4-[2-(chloromethyl)pyrrolidin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 66331103
(3S,4R)-1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-(1-methylimidazol-4-yl)pyrrolidin-3-amine
CID 166433304
1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
CID 66333107
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473902
1-[1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321805
[4-[6-[(1R,5R)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]-2-propan-2-ylpyrimidin-4-yl]-1-methylpiperazin-2-yl]methanol
CID 167960016

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol (CID 138019072) is [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol is CCOc1cc(N2CCN(C)C(CO)C2)nc(C)n1.
What is the InChIKey of [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
The InChIKey is VSLCTUDARVKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-19-13-7-12(14-10(2)15-13)17-6-5-16(3)11(8-17)9-18/h7,11,18H,4-6,8-9H2,1-3H3.
What are the key properties of [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
[4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-2-methylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 138019072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).