6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

C12H20N4OS — CID 103065321

IUPAC6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCSC2)nc(COC)n1
InChIInChI=1S/C12H20N4OS/c1-3-13-10-6-11(14-9-4-5-18-8-9)16-12(15-10)7-17-2/h6,9H,3-5,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyRFOSYFQVVAKTDR-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.97
Rot. Bonds6

About 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 103065321) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID103065321
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCSC2)nc(COC)n1
InChIInChI=1S/C12H20N4OS/c1-3-13-10-6-11(14-9-4-5-18-8-9)16-12(15-10)7-17-2/h6,9H,3-5,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyRFOSYFQVVAKTDR-UHFFFAOYSA-N
XLogP1.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine 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-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (CID 103065321) is 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is CCNc1cc(NC2CCSC2)nc(COC)n1.
What is the InChIKey of 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is RFOSYFQVVAKTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-13-10-6-11(14-9-4-5-18-8-9)16-12(15-10)7-17-2/h6,9H,3-5,7-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 268.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 103065321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).