5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine

C10H17N3O2S — CID 79563360

IUPAC5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCC(C)(C)S(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O2S/c1-8-5-11-9(12-6-8)13-7-10(2,3)16(4,14)15/h5-6H,7H2,1-4H3,(H,11,12,13)
InChIKeyODPFECVDAYCZFE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.02
Rot. Bonds4

About 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine

5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine (PubChem CID 79563360) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
PubChem CID79563360
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCC(C)(C)S(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O2S/c1-8-5-11-9(12-6-8)13-7-10(2,3)16(4,14)15/h5-6H,7H2,1-4H3,(H,11,12,13)
InChIKeyODPFECVDAYCZFE-UHFFFAOYSA-N
XLogP1.02
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine (CID 79563360) is 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine is Cc1cnc(NCC(C)(C)S(C)(=O)=O)nc1.
What is the InChIKey of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The InChIKey is ODPFECVDAYCZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-5-11-9(12-6-8)13-7-10(2,3)16(4,14)15/h5-6H,7H2,1-4H3,(H,11,12,13).
What are the key properties of 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine has a molecular weight of 243.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 79563360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).