6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C17H25N3S — CID 65412798

IUPAC6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(C3CCCC(CC)C3)nc2s1
InChIInChI=1S/C17H25N3S/c1-4-11-7-6-8-12(9-11)15-19-16(18-3)14-10-13(5-2)21-17(14)20-15/h10-12H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyIBLLJJWKQCROTR-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.98
Rot. Bonds4

About 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65412798) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65412798
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(C3CCCC(CC)C3)nc2s1
InChIInChI=1S/C17H25N3S/c1-4-11-7-6-8-12(9-11)15-19-16(18-3)14-10-13(5-2)21-17(14)20-15/h10-12H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyIBLLJJWKQCROTR-UHFFFAOYSA-N
XLogP4.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65392053
6-ethyl-4-N-(3-ethylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328382
2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63614822
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302086
[2-(3-ethylcyclopentyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65406007
2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 55250109
2-(3-ethylcyclopentyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65405403
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-2-(oxolan-3-yl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65329062
[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 115337316
2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine
CID 103320131

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 65412798) is 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC)nc(C3CCCC(CC)C3)nc2s1.
What is the InChIKey of 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IBLLJJWKQCROTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-11-7-6-8-12(9-11)15-19-16(18-3)14-10-13(5-2)21-17(14)20-15/h10-12H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65412798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).