(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone

C13H20N4OS — CID 64593065

IUPAC(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H20N4OS/c1-9-11(12(19-4)15-10(2)14-9)13(18)17-7-5-16(3)6-8-17/h5-8H2,1-4H3
InChIKeyDRZOWMXMGYYYNW-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.20
Rot. Bonds2

About (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone

(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 64593065) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID64593065
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H20N4OS/c1-9-11(12(19-4)15-10(2)14-9)13(18)17-7-5-16(3)6-8-17/h5-8H2,1-4H3
InChIKeyDRZOWMXMGYYYNW-UHFFFAOYSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 64591148
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)methanone
CID 79411017
(2S)-1-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136834
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
(4-methylpiperazin-1-yl)-(2,3,6-trifluorophenyl)methanone
CID 171368041
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 78844700
[4-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55589691
N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 64593244
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 55807755
3,4-dihydro-1H-isoquinolin-2-yl-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 78844850
(3-hydroxypiperidin-1-yl)-(4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 78847736
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 55550722

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 64593065) is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone is CSc1nc(C)nc(C)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DRZOWMXMGYYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-11(12(19-4)15-10(2)14-9)13(18)17-7-5-16(3)6-8-17/h5-8H2,1-4H3.
What are the key properties of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone?
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 280.40 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 64593065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).