2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine

C16H26N4S — CID 106028883

IUPAC2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCC(CCC)Nc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C16H26N4S/c1-5-7-9-12(8-6-2)18-14-13-10-11(3)21-15(13)20-16(17-4)19-14/h10,12H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyTXRCUERRYQWJME-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.81
Rot. Bonds8

About 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106028883) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106028883
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCC(CCC)Nc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C16H26N4S/c1-5-7-9-12(8-6-2)18-14-13-10-11(3)21-15(13)20-16(17-4)19-14/h10,12H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyTXRCUERRYQWJME-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine (CID 106028883) is 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCC(CCC)Nc1nc(NC)nc2sc(C)cc12.
What is the InChIKey of 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is TXRCUERRYQWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-5-7-9-12(8-6-2)18-14-13-10-11(3)21-15(13)20-16(17-4)19-14/h10,12H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106028883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).