2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide

C14H21N5OS — CID 62183806

IUPAC2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
SMILESCCNc1nc(CN(C)CC(N)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N5OS/c1-5-16-13-12-8(2)9(3)21-14(12)18-11(17-13)7-19(4)6-10(15)20/h5-7H2,1-4H3,(H2,15,20)(H,16,17,18)
InChIKeyOPWWOTNQBQAHSE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.66
Rot. Bonds6

About 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide

2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide (PubChem CID 62183806) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
PubChem CID62183806
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
SMILESCCNc1nc(CN(C)CC(N)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N5OS/c1-5-16-13-12-8(2)9(3)21-14(12)18-11(17-13)7-19(4)6-10(15)20/h5-7H2,1-4H3,(H2,15,20)(H,16,17,18)
InChIKeyOPWWOTNQBQAHSE-UHFFFAOYSA-N
XLogP1.66
TPSA84.14 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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,7-Dimethyl-4-(piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CID 3207225
1-Piperidin-1-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 858935
N-cyclopentyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 862674
2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-N,N-diethylacetamide
CID 865962
3-(7-Methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylamino)-propa n-1-ol
CID 2009708
2-Methyl-4-piperazin-1-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
CID 2047262
1-[3-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 2576098
2-[[4-(ethylamino)-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl]sulfanyl]acetamide
CID 2817154
N-Cyclopropyl-2-(2-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 3218956
2-[(4-amino-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl)thio]ethyl-dimethyl-amine
CID 664126
2-(5,6-Dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)acetamide
CID 709440
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 862676

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide (CID 62183806) is 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide is CCNc1nc(CN(C)CC(N)=O)nc2sc(C)c(C)c12.
What is the InChIKey of 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide?
The InChIKey is OPWWOTNQBQAHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-5-16-13-12-8(2)9(3)21-14(12)18-11(17-13)7-19(4)6-10(15)20/h5-7H2,1-4H3,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide?
2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 62183806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).