2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole

C35H41Cl3N14O2S3 — CID 159905983

IUPAC2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole
SMILESCSc1cc(C)nc(-n2ccc(C)n2)n1.CSc1cc(C)nc(Cl)n1.Cc1cc(Cl)nc(Cl)n1.Cc1cc(S(C)(=O)=O)nc(-n2ccc(C)n2)n1.Cc1ccn[nH]1
InChIInChI=1S/C10H12N4O2S.C10H12N4S.C6H7ClN2S.C5H4Cl2N2.C4H6N2/c1-7-4-5-14(13-7)10-11-8(2)6-9(12-10)17(3,15)16;1-7-4-5-14(13-7)10-11-8(2)6-9(12-10)15-3;1-4-3-5(10-2)9-6(7)8-4;1-3-2-4(6)9-5(7)8-3;1-4-2-3-5-6-4/h4-6H,1-3H3;4-6H,1-3H3;3H,1-2H3;2H,1H3;2-3H,1H3,(H,5,6)
InChIKeyNWOOUTQIGAMJKL-UHFFFAOYSA-N
MW892.37 g/mol
LogP7.65
Rot. Bonds5

About 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole

2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole (PubChem CID 159905983) has the molecular formula C35H41Cl3N14O2S3 and a molecular weight of 892.37 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole.

Molecular Properties

Compound Name2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole
PubChem CID159905983
Molecular FormulaC35H41Cl3N14O2S3
Molecular Weight892.37 g/mol
Exact Mass890.18
IUPAC Name2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole
SMILESCSc1cc(C)nc(-n2ccc(C)n2)n1.CSc1cc(C)nc(Cl)n1.Cc1cc(Cl)nc(Cl)n1.Cc1cc(S(C)(=O)=O)nc(-n2ccc(C)n2)n1.Cc1ccn[nH]1
InChIInChI=1S/C10H12N4O2S.C10H12N4S.C6H7ClN2S.C5H4Cl2N2.C4H6N2/c1-7-4-5-14(13-7)10-11-8(2)6-9(12-10)17(3,15)16;1-7-4-5-14(13-7)10-11-8(2)6-9(12-10)15-3;1-4-3-5(10-2)9-6(7)8-4;1-3-2-4(6)9-5(7)8-3;1-4-2-3-5-6-4/h4-6H,1-3H3;4-6H,1-3H3;3H,1-2H3;2H,1H3;2-3H,1H3,(H,5,6)
InChIKeyNWOOUTQIGAMJKL-UHFFFAOYSA-N
XLogP7.65
TPSA201.58 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500892.37
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole with MolForge

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Related Compounds

4,6-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine;4-methyl-6-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine;4-methyl-6-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine;5-methyl-1H-pyrazole
CID 157653665
4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;5-methyl-1H-pyrazole
CID 161040970
4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;methane;5-methyl-1H-pyrazole
CID 161256188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole?
The IUPAC name of 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole (CID 159905983) is 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole.
What is the SMILES notation for 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole?
The canonical SMILES for 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole is CSc1cc(C)nc(-n2ccc(C)n2)n1.CSc1cc(C)nc(Cl)n1.Cc1cc(Cl)nc(Cl)n1.Cc1cc(S(C)(=O)=O)nc(-n2ccc(C)n2)n1.Cc1ccn[nH]1.
What is the InChIKey of 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole?
The InChIKey is NWOOUTQIGAMJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S.C10H12N4S.C6H7ClN2S.C5H4Cl2N2.C4H6N2/c1-7-4-5-14(13-7)10-11-8(2)6-9(12-10)17(3,15)16;1-7-4-5-14(13-7)10-11-8(2)6-9(12-10)15-3;1-4-3-5(10-2)9-6(7)8-4;1-3-2-4(6)9-5(7)8-3;1-4-2-3-5-6-4/h4-6H,1-3H3;4-6H,1-3H3;3H,1-2H3;2H,1H3;2-3H,1H3,(H,5,6).
What are the key properties of 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole?
2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole has a molecular weight of 892.37 g/mol, XLogP of 7.65, 5 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-methylsulfanylpyrimidine;2,4-dichloro-6-methylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfanylpyrimidine;4-methyl-2-(3-methylpyrazol-1-yl)-6-methylsulfonylpyrimidine;5-methyl-1H-pyrazole is sourced from PubChem (CID 159905983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).