6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine

C14H17N3OS — CID 65143448

IUPAC6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(CSc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-15-13-8-11(9-18-2)16-14(17-13)10-19-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,15,16,17)
InChIKeyNHIRSOIJVKYLJV-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.96
Rot. Bonds6

About 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine

6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 65143448) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
PubChem CID65143448
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(CSc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-15-13-8-11(9-18-2)16-14(17-13)10-19-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,15,16,17)
InChIKeyNHIRSOIJVKYLJV-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine (CID 65143448) is 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine is CNc1cc(COC)nc(CSc2ccccc2)n1.
What is the InChIKey of 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is NHIRSOIJVKYLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-15-13-8-11(9-18-2)16-14(17-13)10-19-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 65143448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).