4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H18N4S — CID 103324681

IUPAC4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(N)nc2sccc12
InChIInChI=1S/C12H18N4S/c1-4-8(2)7-16(3)10-9-5-6-17-11(9)15-12(13)14-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15)
InChIKeyJLDSTDLIIQJPFL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.76
Rot. Bonds4

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

4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324681) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324681
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(N)nc2sccc12
InChIInChI=1S/C12H18N4S/c1-4-8(2)7-16(3)10-9-5-6-17-11(9)15-12(13)14-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15)
InChIKeyJLDSTDLIIQJPFL-UHFFFAOYSA-N
XLogP2.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324681) is 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCC(C)CN(C)c1nc(N)nc2sccc12.
What is the InChIKey of 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JLDSTDLIIQJPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-8(2)7-16(3)10-9-5-6-17-11(9)15-12(13)14-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).