5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine

C10H17N5O2S — CID 80831231

IUPAC5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H17N5O2S/c1-8-7-12-10(11)13-9(8)14-3-5-15(6-4-14)18(2,16)17/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyWPTAJPBYHSIJQK-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.55
Rot. Bonds2

About 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine

5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 80831231) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID80831231
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H17N5O2S/c1-8-7-12-10(11)13-9(8)14-3-5-15(6-4-14)18(2,16)17/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyWPTAJPBYHSIJQK-UHFFFAOYSA-N
XLogP-0.55
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine (CID 80831231) is 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine is Cc1cnc(N)nc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is WPTAJPBYHSIJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-8-7-12-10(11)13-9(8)14-3-5-15(6-4-14)18(2,16)17/h7H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine?
5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 271.35 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80831231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).