2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C15H17N3S — CID 83200997

IUPAC2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)cccc2C)nc2c1CSC2
InChIInChI=1S/C15H17N3S/c1-9-5-4-6-10(2)13(9)15-17-12-8-19-7-11(12)14(16-3)18-15/h4-6H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyMLDXZIPMGGYHAR-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.55
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83200997) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83200997
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)cccc2C)nc2c1CSC2
InChIInChI=1S/C15H17N3S/c1-9-5-4-6-10(2)13(9)15-17-12-8-19-7-11(12)14(16-3)18-15/h4-6H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyMLDXZIPMGGYHAR-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83200997) is 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(-c2c(C)cccc2C)nc2c1CSC2.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is MLDXZIPMGGYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-9-5-4-6-10(2)13(9)15-17-12-8-19-7-11(12)14(16-3)18-15/h4-6H,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83200997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).