N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine

C14H23N3OS2 — CID 115388534

IUPACN-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C2SCCSC2CC)n1
InChIInChI=1S/C14H23N3OS2/c1-4-11-13(20-7-6-19-11)14-16-10(9-18-3)8-12(17-14)15-5-2/h8,11,13H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyOMQJTPKKRGFABI-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine

N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 115388534) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID115388534
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC NameN-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C2SCCSC2CC)n1
InChIInChI=1S/C14H23N3OS2/c1-4-11-13(20-7-6-19-11)14-16-10(9-18-3)8-12(17-14)15-5-2/h8,11,13H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyOMQJTPKKRGFABI-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)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

Related Compounds

N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 115388674
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 115998400
[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine
CID 113299858
2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 115337230
5-bromo-N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-amine
CID 115388571
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
N-[[2-(3-ethyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 115388779
2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62318582
4-tert-butyl-6-chloro-2-(3-ethyl-1,4-dithian-2-yl)pyrimidine
CID 113299211
N-ethyl-6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79662651

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine (CID 115388534) is N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(COC)nc(C2SCCSC2CC)n1.
What is the InChIKey of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is OMQJTPKKRGFABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-4-11-13(20-7-6-19-11)14-16-10(9-18-3)8-12(17-14)15-5-2/h8,11,13H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine?
N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 313.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 115388534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).