4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C15H24N4S — CID 103326563

IUPAC4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C(C)C(C)(C)C)c2ccsc2n1
InChIInChI=1S/C15H24N4S/c1-7-16-14-17-12(11-8-9-20-13(11)18-14)19(6)10(2)15(3,4)5/h8-10H,7H2,1-6H3,(H,16,17,18)
InChIKeyYGNKNCQTKYQCMX-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.99
Rot. Bonds4

About 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326563) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326563
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C(C)C(C)(C)C)c2ccsc2n1
InChIInChI=1S/C15H24N4S/c1-7-16-14-17-12(11-8-9-20-13(11)18-14)19(6)10(2)15(3,4)5/h8-10H,7H2,1-6H3,(H,16,17,18)
InChIKeyYGNKNCQTKYQCMX-UHFFFAOYSA-N
XLogP3.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

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,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918645
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 103326361
4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327415
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325817
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329656

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103326563) is 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(C)C(C)C(C)(C)C)c2ccsc2n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YGNKNCQTKYQCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-7-16-14-17-12(11-8-9-20-13(11)18-14)19(6)10(2)15(3,4)5/h8-10H,7H2,1-6H3,(H,16,17,18).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).