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

C14H20N4O2S — CID 103326679

IUPACmethyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
SMILESCNc1nc(NC(C(=O)OC)C(C)C)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4O2S/c1-7(2)10(13(19)20-5)16-11-9-6-8(3)21-12(9)18-14(15-4)17-11/h6-7,10H,1-5H3,(H2,15,16,17,18)
InChIKeyAMASSNLVWNYLOV-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.65
Rot. Bonds5

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

methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate (PubChem CID 103326679) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
PubChem CID103326679
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Namemethyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
SMILESCNc1nc(NC(C(=O)OC)C(C)C)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4O2S/c1-7(2)10(13(19)20-5)16-11-9-6-8(3)21-12(9)18-14(15-4)17-11/h6-7,10H,1-5H3,(H2,15,16,17,18)
InChIKeyAMASSNLVWNYLOV-UHFFFAOYSA-N
XLogP2.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate with MolForge

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Related Compounds

4-N-(4-methoxybutan-2-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328333
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate
CID 103326674
3-methyl-2-[(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91965550
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106028883
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
2-N,6-dimethyl-4-N-(3-methylsulfinylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330232

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate (CID 103326679) is methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate is CNc1nc(NC(C(=O)OC)C(C)C)c2cc(C)sc2n1.
What is the InChIKey of methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate?
The InChIKey is AMASSNLVWNYLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-7(2)10(13(19)20-5)16-11-9-6-8(3)21-12(9)18-14(15-4)17-11/h6-7,10H,1-5H3,(H2,15,16,17,18).
What are the key properties of methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate?
methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate has a molecular weight of 308.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate is sourced from PubChem (CID 103326679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).