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

C15H22N4S — CID 103324441

IUPAC6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCC(C)CC3)nc(N)nc2s1
InChIInChI=1S/C15H22N4S/c1-3-11-8-12-13(18-15(16)19-14(12)20-11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H3,16,17,18,19)
InChIKeyMHTLTQKUBOYTSI-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.83
Rot. Bonds3

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

6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324441) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324441
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCC(C)CC3)nc(N)nc2s1
InChIInChI=1S/C15H22N4S/c1-3-11-8-12-13(18-15(16)19-14(12)20-11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H3,16,17,18,19)
InChIKeyMHTLTQKUBOYTSI-UHFFFAOYSA-N
XLogP3.83
TPSA63.83 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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330885
6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327762
6-ethyl-4-N-(3-ethylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328382
6-ethyl-2-N-methyl-4-N-(3-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330658
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 103328658
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329523

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324441) is 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NC3CCC(C)CC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MHTLTQKUBOYTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-11-8-12-13(18-15(16)19-14(12)20-11)17-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).