2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

C14H21N5OS — CID 103326513

IUPAC2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCNc1nc(N(C)CC(=O)NC(C)C)c2cc(C)sc2n1
InChIInChI=1S/C14H21N5OS/c1-8(2)16-11(20)7-19(5)12-10-6-9(3)21-13(10)18-14(15-4)17-12/h6,8H,7H2,1-5H3,(H,16,20)(H,15,17,18)
InChIKeyKLPVSYDKTDYFFM-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.00
Rot. Bonds5

About 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide (PubChem CID 103326513) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
PubChem CID103326513
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCNc1nc(N(C)CC(=O)NC(C)C)c2cc(C)sc2n1
InChIInChI=1S/C14H21N5OS/c1-8(2)16-11(20)7-19(5)12-10-6-9(3)21-13(10)18-14(15-4)17-12/h6,8H,7H2,1-5H3,(H,16,20)(H,15,17,18)
InChIKeyKLPVSYDKTDYFFM-UHFFFAOYSA-N
XLogP2.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 103326512
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 103324793
2-N,6-dimethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325508
2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327610
4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N,6-trimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326567
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328905
2-N-ethyl-4-N,6-dimethyl-4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325641
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80993955
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80821237
methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 103326679
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol
CID 103329881

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide (CID 103326513) is 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide is CNc1nc(N(C)CC(=O)NC(C)C)c2cc(C)sc2n1.
What is the InChIKey of 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is KLPVSYDKTDYFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-8(2)16-11(20)7-19(5)12-10-6-9(3)21-13(10)18-14(15-4)17-12/h6,8H,7H2,1-5H3,(H,16,20)(H,15,17,18).
What are the key properties of 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 307.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103326513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).