4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C18H26N6S — CID 154828952

IUPAC4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCSc1nc(C)c(C)c(N2CCN(c3ccnc(C(C)C)n3)CC2)n1
InChIInChI=1S/C18H26N6S/c1-12(2)16-19-7-6-15(21-16)23-8-10-24(11-9-23)17-13(3)14(4)20-18(22-17)25-5/h6-7,12H,8-11H2,1-5H3
InChIKeyYAARWBUMJKHJJQ-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.06
Rot. Bonds4

About 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 154828952) has the molecular formula C18H26N6S and a molecular weight of 358.52 g/mol. Its IUPAC name is 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID154828952
Molecular FormulaC18H26N6S
Molecular Weight358.52 g/mol
Exact Mass358.19
IUPAC Name4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCSc1nc(C)c(C)c(N2CCN(c3ccnc(C(C)C)n3)CC2)n1
InChIInChI=1S/C18H26N6S/c1-12(2)16-19-7-6-15(21-16)23-8-10-24(11-9-23)17-13(3)14(4)20-18(22-17)25-5/h6-7,12H,8-11H2,1-5H3
InChIKeyYAARWBUMJKHJJQ-UHFFFAOYSA-N
XLogP3.06
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine with MolForge

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Related Compounds

5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 163343960
4-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-2-methylsulfanylpyrimidine
CID 163348045
6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133487059
2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136519236
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
CID 163344430
4,5-dimethyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133458867
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-ethyl-2-methylsulfanylpyrimidine
CID 163343966
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 167781320
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 154828952) is 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is CSc1nc(C)c(C)c(N2CCN(c3ccnc(C(C)C)n3)CC2)n1.
What is the InChIKey of 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is YAARWBUMJKHJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6S/c1-12(2)16-19-7-6-15(21-16)23-8-10-24(11-9-23)17-13(3)14(4)20-18(22-17)25-5/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 358.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154828952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).