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

C13H20N4S — CID 103325883

IUPAC6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)C(C)Nc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C13H20N4S/c1-5-7(2)9(4)15-11-10-6-8(3)18-12(10)17-13(14)16-11/h6-7,9H,5H2,1-4H3,(H3,14,15,16,17)
InChIKeyZTWXTQARRYGHPT-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.43
Rot. Bonds4

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

6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325883) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325883
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)C(C)Nc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C13H20N4S/c1-5-7(2)9(4)15-11-10-6-8(3)18-12(10)17-13(14)16-11/h6-7,9H,5H2,1-4H3,(H3,14,15,16,17)
InChIKeyZTWXTQARRYGHPT-UHFFFAOYSA-N
XLogP3.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327997
4-N-(2-ethoxypropyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330055
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329700
4-N-(1-cyclopentylethyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328103
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326112
6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330600
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328266
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327111

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103325883) is 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCC(C)C(C)Nc1nc(N)nc2sc(C)cc12.
What is the InChIKey of 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZTWXTQARRYGHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-7(2)9(4)15-11-10-6-8(3)18-12(10)17-13(14)16-11/h6-7,9H,5H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).