6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C13H18N4S2 — CID 80782018

IUPAC6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2ccsc2)nc(SC)n1
InChIInChI=1S/C13H18N4S2/c1-4-14-11-7-12(16-13(15-11)18-3)17(2)8-10-5-6-19-9-10/h5-7,9H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyOOZGHXDMWTYAMC-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.33
Rot. Bonds6

About 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80782018) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80782018
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2ccsc2)nc(SC)n1
InChIInChI=1S/C13H18N4S2/c1-4-14-11-7-12(16-13(15-11)18-3)17(2)8-10-5-6-19-9-10/h5-7,9H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyOOZGHXDMWTYAMC-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80827775
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804572
4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775647
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906376
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975
4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80798517
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80808574
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80905801
4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62280809
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80782018) is 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)Cc2ccsc2)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is OOZGHXDMWTYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-4-14-11-7-12(16-13(15-11)18-3)17(2)8-10-5-6-19-9-10/h5-7,9H,4,8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 294.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80782018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).