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

C16H17N3OS — CID 5185787

IUPACN-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1nc(C)nc2sc(C)cc12
InChIInChI=1S/C16H17N3OS/c1-9-5-6-14(20-4)13(7-9)19-15-12-8-10(2)21-16(12)18-11(3)17-15/h5-8H,1-4H3,(H,17,18,19)
InChIKeyVKNUPDIRHJLEBP-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.37
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 5185787) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID5185787
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1nc(C)nc2sc(C)cc12
InChIInChI=1S/C16H17N3OS/c1-9-5-6-14(20-4)13(7-9)19-15-12-8-10(2)21-16(12)18-11(3)17-15/h5-8H,1-4H3,(H,17,18,19)
InChIKeyVKNUPDIRHJLEBP-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 5185787) is N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(C)cc1Nc1nc(C)nc2sc(C)cc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VKNUPDIRHJLEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-9-5-6-14(20-4)13(7-9)19-15-12-8-10(2)21-16(12)18-11(3)17-15/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5185787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).