[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol

C11H18N4OS — CID 28905055

IUPAC[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCSc1ncc(CO)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18N4OS/c1-14-3-5-15(6-4-14)10-9(8-16)7-12-11(13-10)17-2/h7,16H,3-6,8H2,1-2H3
InChIKeyOBTGKABKSXESQX-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.44
Rot. Bonds3

About [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol

[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol (PubChem CID 28905055) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
PubChem CID28905055
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCSc1ncc(CO)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18N4OS/c1-14-3-5-15(6-4-14)10-9(8-16)7-12-11(13-10)17-2/h7,16H,3-6,8H2,1-2H3
InChIKeyOBTGKABKSXESQX-UHFFFAOYSA-N
XLogP0.44
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(azepan-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905065
ethyl 4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 5072145
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol
CID 114215021
[2-methyl-4-(4-methylsulfanylazepan-1-yl)pyrimidin-5-yl]methanol
CID 114237753
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
CID 173112578
CID 173112578
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62754344
(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 59681451
[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 10656911
5-bromo-2-methylsulfanyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 171691431
5-bromo-4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 171702205
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172893574

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol (CID 28905055) is [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol is CSc1ncc(CO)c(N2CCN(C)CC2)n1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol?
The InChIKey is OBTGKABKSXESQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-14-3-5-15(6-4-14)10-9(8-16)7-12-11(13-10)17-2/h7,16H,3-6,8H2,1-2H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol?
[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol has a molecular weight of 254.36 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol is sourced from PubChem (CID 28905055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).