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

C16H24N4S — CID 103326516

IUPAC2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C2CCCCC2C)c2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-4-17-16-18-14(12-9-10-21-15(12)19-16)20(3)13-8-6-5-7-11(13)2/h9-11,13H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyOFXSAKMLTPYZGE-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.14
Rot. Bonds4

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

2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326516) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326516
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C2CCCCC2C)c2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-4-17-16-18-14(12-9-10-21-15(12)19-16)20(3)13-8-6-5-7-11(13)2/h9-11,13H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyOFXSAKMLTPYZGE-UHFFFAOYSA-N
XLogP4.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327415
2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328619
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329415
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103326516) is 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(C)C2CCCCC2C)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OFXSAKMLTPYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-17-16-18-14(12-9-10-21-15(12)19-16)20(3)13-8-6-5-7-11(13)2/h9-11,13H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).