5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C17H24N6S — CID 163343960

IUPAC5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3ccnc(C(C)C)n3)CC2)n1
InChIInChI=1S/C17H24N6S/c1-12(2)15-18-6-5-14(20-15)22-7-9-23(10-8-22)16-13(3)11-19-17(21-16)24-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJWDHFMJNEYFYMD-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.75
Rot. Bonds4

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

5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 163343960) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID163343960
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC Name5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3ccnc(C(C)C)n3)CC2)n1
InChIInChI=1S/C17H24N6S/c1-12(2)15-18-6-5-14(20-15)22-7-9-23(10-8-22)16-13(3)11-19-17(21-16)24-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJWDHFMJNEYFYMD-UHFFFAOYSA-N
XLogP2.75
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-dimethyl-2-methylsulfanyl-6-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 154828952
4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
CID 155798706
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
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 165432585
6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 167781320
5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163344393
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356599
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
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 165433739

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 163343960) is 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is CSc1ncc(C)c(N2CCN(c3ccnc(C(C)C)n3)CC2)n1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is JWDHFMJNEYFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-12(2)15-18-6-5-14(20-15)22-7-9-23(10-8-22)16-13(3)11-19-17(21-16)24-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 344.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163343960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).