6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4S2 — CID 103329657

IUPAC6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(C)C(CC)CSC)nc(N)nc2s1
InChIInChI=1S/C14H22N4S2/c1-5-9(8-19-4)18(3)12-11-7-10(6-2)20-13(11)17-14(15)16-12/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17)
InChIKeyHSLYFPFCPPJWJV-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.41
Rot. Bonds6

About 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329657) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329657
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(C)C(CC)CSC)nc(N)nc2s1
InChIInChI=1S/C14H22N4S2/c1-5-9(8-19-4)18(3)12-11-7-10(6-2)20-13(11)17-14(15)16-12/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17)
InChIKeyHSLYFPFCPPJWJV-UHFFFAOYSA-N
XLogP3.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329657) is 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(N(C)C(CC)CSC)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HSLYFPFCPPJWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-5-9(8-19-4)18(3)12-11-7-10(6-2)20-13(11)17-14(15)16-12/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 310.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).