6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H19N3S2 — CID 65131807

IUPAC6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(CSC(C)C)nc2s1
InChIInChI=1S/C13H19N3S2/c1-5-9-6-10-12(14-4)15-11(7-17-8(2)3)16-13(10)18-9/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyJZJSSMHSPPRECN-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.94
Rot. Bonds5

About 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 65131807) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID65131807
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(CSC(C)C)nc2s1
InChIInChI=1S/C13H19N3S2/c1-5-9-6-10-12(14-4)15-11(7-17-8(2)3)16-13(10)18-9/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyJZJSSMHSPPRECN-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 65131807) is 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC)nc(CSC(C)C)nc2s1.
What is the InChIKey of 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JZJSSMHSPPRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-5-9-6-10-12(14-4)15-11(7-17-8(2)3)16-13(10)18-9/h6,8H,5,7H2,1-4H3,(H,14,15,16).
What are the key properties of 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).