2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H22N4S — CID 103324733

IUPAC2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCCC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4S/c1-9-5-4-6-11(7-9)17-13-12-8-10(2)20-14(12)19-15(16-3)18-13/h8-9,11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyMIIMUBZYBWMQFV-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.03
Rot. Bonds3

About 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324733) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324733
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCCC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4S/c1-9-5-4-6-11(7-9)17-13-12-8-10(2)20-14(12)19-15(16-3)18-13/h8-9,11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyMIIMUBZYBWMQFV-UHFFFAOYSA-N
XLogP4.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.03
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-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324733) is 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC2CCCC(C)C2)c2cc(C)sc2n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MIIMUBZYBWMQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-9-5-4-6-11(7-9)17-13-12-8-10(2)20-14(12)19-15(16-3)18-13/h8-9,11H,4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 4.03, 3 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-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).