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

C15H17N3S — CID 83200586

IUPAC2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-c1nc2c(c(NC)n1)CSC2
InChIInChI=1S/C15H17N3S/c1-3-10-6-4-5-7-11(10)15-17-13-9-19-8-12(13)14(16-2)18-15/h4-7H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyOMGFEYFVVITTSA-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.49
Rot. Bonds3

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

2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83200586) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83200586
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-c1nc2c(c(NC)n1)CSC2
InChIInChI=1S/C15H17N3S/c1-3-10-6-4-5-7-11(10)15-17-13-9-19-8-12(13)14(16-2)18-15/h4-7H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyOMGFEYFVVITTSA-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83200586) is 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCc1ccccc1-c1nc2c(c(NC)n1)CSC2.
What is the InChIKey of 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is OMGFEYFVVITTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-10-6-4-5-7-11(10)15-17-13-9-19-8-12(13)14(16-2)18-15/h4-7H,3,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83200586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).