3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile

C14H19N5S — CID 103326361

IUPAC3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
SMILESCCNc1nc(N(CC)CC(C)C#N)c2ccsc2n1
InChIInChI=1S/C14H19N5S/c1-4-16-14-17-12(11-6-7-20-13(11)18-14)19(5-2)9-10(3)8-15/h6-7,10H,4-5,9H2,1-3H3,(H,16,17,18)
InChIKeyVNHJXEDSBRMDLC-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.11
Rot. Bonds6

About 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile

3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile (PubChem CID 103326361) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
PubChem CID103326361
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
SMILESCCNc1nc(N(CC)CC(C)C#N)c2ccsc2n1
InChIInChI=1S/C14H19N5S/c1-4-16-14-17-12(11-6-7-20-13(11)18-14)19(5-2)9-10(3)8-15/h6-7,10H,4-5,9H2,1-3H3,(H,16,17,18)
InChIKeyVNHJXEDSBRMDLC-UHFFFAOYSA-N
XLogP3.11
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872
3-[ethyl-[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 80805778
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918645
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495304
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772919
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile (CID 103326361) is 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile is CCNc1nc(N(CC)CC(C)C#N)c2ccsc2n1.
What is the InChIKey of 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile?
The InChIKey is VNHJXEDSBRMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-4-16-14-17-12(11-6-7-20-13(11)18-14)19(5-2)9-10(3)8-15/h6-7,10H,4-5,9H2,1-3H3,(H,16,17,18).
What are the key properties of 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile?
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile has a molecular weight of 289.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 103326361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).