3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide

C14H21N5OS — CID 106918645

IUPAC3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCCNc1nc(N(C)CC(C)C(=O)NC)c2ccsc2n1
InChIInChI=1S/C14H21N5OS/c1-5-16-14-17-11(10-6-7-21-13(10)18-14)19(4)8-9(2)12(20)15-3/h6-7,9H,5,8H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyJDCTVQWBXSMMPO-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.94
Rot. Bonds6

About 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918645) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106918645
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCCNc1nc(N(C)CC(C)C(=O)NC)c2ccsc2n1
InChIInChI=1S/C14H21N5OS/c1-5-16-14-17-11(10-6-7-21-13(10)18-14)19(4)8-9(2)12(20)15-3/h6-7,9H,5,8H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyJDCTVQWBXSMMPO-UHFFFAOYSA-N
XLogP1.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
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-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
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
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 103326824
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
2-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327565
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide (CID 106918645) is 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide is CCNc1nc(N(C)CC(C)C(=O)NC)c2ccsc2n1.
What is the InChIKey of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is JDCTVQWBXSMMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-16-14-17-11(10-6-7-21-13(10)18-14)19(4)8-9(2)12(20)15-3/h6-7,9H,5,8H2,1-4H3,(H,15,20)(H,16,17,18).
What are the key properties of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 307.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).