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

C16H19N3S — CID 83191211

IUPAC2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)cccc2C)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-4-17-15-12-8-20-9-13(12)18-16(19-15)14-10(2)6-5-7-11(14)3/h5-7H,4,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPXICMZLBEDTMRO-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.94
Rot. Bonds3

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

2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191211) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191211
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)cccc2C)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-4-17-15-12-8-20-9-13(12)18-16(19-15)14-10(2)6-5-7-11(14)3/h5-7H,4,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPXICMZLBEDTMRO-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.94
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-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191211) is 2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(-c2c(C)cccc2C)nc2c1CSC2.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is PXICMZLBEDTMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-4-17-15-12-8-20-9-13(12)18-16(19-15)14-10(2)6-5-7-11(14)3/h5-7H,4,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 3.94, 3 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-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).