4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

C16H24N4S — CID 103328211

IUPAC4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCC(C)(C)CC2)c2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-4-17-15-19-13(12-7-10-21-14(12)20-15)18-11-5-8-16(2,3)9-6-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyAMXIIVGPCLYJAZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.50
Rot. Bonds4

About 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328211) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328211
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCC(C)(C)CC2)c2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-4-17-15-19-13(12-7-10-21-14(12)20-15)18-11-5-8-16(2,3)9-6-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyAMXIIVGPCLYJAZ-UHFFFAOYSA-N
XLogP4.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,2-dimethylpiperidin-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329284
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330161
2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328619
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 103329709
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330237
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666
2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330122
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103329315

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103328211) is 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC2CCC(C)(C)CC2)c2ccsc2n1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is AMXIIVGPCLYJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-17-15-19-13(12-7-10-21-14(12)20-15)18-11-5-8-16(2,3)9-6-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).