2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine

C11H17N3O3S — CID 72935066

IUPAC2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(NC2CCOCC2)n1
InChIInChI=1S/C11H17N3O3S/c1-8-12-7-10(18(2,15)16)11(13-8)14-9-3-5-17-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyXASCDSRIDNNKFV-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.78
Rot. Bonds3

About 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine

2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 72935066) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID72935066
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(NC2CCOCC2)n1
InChIInChI=1S/C11H17N3O3S/c1-8-12-7-10(18(2,15)16)11(13-8)14-9-3-5-17-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyXASCDSRIDNNKFV-UHFFFAOYSA-N
XLogP0.78
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 72935066) is 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine is Cc1ncc(S(C)(=O)=O)c(NC2CCOCC2)n1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is XASCDSRIDNNKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-12-7-10(18(2,15)16)11(13-8)14-9-3-5-17-6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine?
2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 271.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 72935066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).