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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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).