6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine

C11H19N5O2S — CID 80657286

IUPAC6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(CN2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H19N5O2S/c1-9-7-10(12)14-11(13-9)8-15-3-5-16(6-4-15)19(2,17)18/h7H,3-6,8H2,1-2H3,(H2,12,13,14)
InChIKeyBRCPQCLLRBMJRW-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.56
Rot. Bonds3

About 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine

6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine (PubChem CID 80657286) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine
PubChem CID80657286
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(CN2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C11H19N5O2S/c1-9-7-10(12)14-11(13-9)8-15-3-5-16(6-4-15)19(2,17)18/h7H,3-6,8H2,1-2H3,(H2,12,13,14)
InChIKeyBRCPQCLLRBMJRW-UHFFFAOYSA-N
XLogP-0.56
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80657136
2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine
CID 114196784
6-methyl-2-[(4-methylsulfanylazepan-1-yl)methyl]pyrimidin-4-amine
CID 114237944
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863191
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
CID 80654500
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321611
2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80654966
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]morpholin-3-one
CID 80654045
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one
CID 80654108
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513931

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine (CID 80657286) is 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine is Cc1cc(N)nc(CN2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine?
The InChIKey is BRCPQCLLRBMJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-9-7-10(12)14-11(13-9)8-15-3-5-16(6-4-15)19(2,17)18/h7H,3-6,8H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine?
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80657286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).