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

C17H19N3OS — CID 46362708

IUPAC6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3cc(C)ccc3OC)ncnc2s1
InChIInChI=1S/C17H19N3OS/c1-5-12-9-13-16(18-10-19-17(13)22-12)20(3)14-8-11(2)6-7-15(14)21-4/h6-10H,5H2,1-4H3
InChIKeyCXNBCZCZBWPNCP-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.34
Rot. Bonds4

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

6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 46362708) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID46362708
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3cc(C)ccc3OC)ncnc2s1
InChIInChI=1S/C17H19N3OS/c1-5-12-9-13-16(18-10-19-17(13)22-12)20(3)14-8-11(2)6-7-15(14)21-4/h6-10H,5H2,1-4H3
InChIKeyCXNBCZCZBWPNCP-UHFFFAOYSA-N
XLogP4.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 46362708) is 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)c3cc(C)ccc3OC)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CXNBCZCZBWPNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-5-12-9-13-16(18-10-19-17(13)22-12)20(3)14-8-11(2)6-7-15(14)21-4/h6-10H,5H2,1-4H3.
What are the key properties of 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-methoxy-5-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46362708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).