2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H17N3OS — CID 106792982

IUPAC2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(C)ccc1-c1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H17N3OS/c1-8-5-6-11(12(7-8)20-4)15-18-14(17)13-9(2)10(3)21-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
InChIKeyJPMMSMOVZACUTI-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.87
Rot. Bonds2

About 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106792982) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106792982
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(C)ccc1-c1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H17N3OS/c1-8-5-6-11(12(7-8)20-4)15-18-14(17)13-9(2)10(3)21-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
InChIKeyJPMMSMOVZACUTI-UHFFFAOYSA-N
XLogP3.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 81301971
2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62944582
4-(2-methoxy-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 106793544
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 79713337
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 63988359
2-(2-methoxy-4-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 106792983
2-(furan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025396
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
[2-(2-methoxy-4-methylphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 106793108
2-(4-chloro-2-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983776

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 106792982) is 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1cc(C)ccc1-c1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JPMMSMOVZACUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-8-5-6-11(12(7-8)20-4)15-18-14(17)13-9(2)10(3)21-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19).
What are the key properties of 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106792982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).