N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

C19H16N4OS — CID 17483718

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3sc(-c4ccccc4)cc23)ccn1
InChIInChI=1S/C19H16N4OS/c1-24-17-9-13(7-8-20-17)11-21-18-15-10-16(14-5-3-2-4-6-14)25-19(15)23-12-22-18/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeySLEIBJHDWYRYRJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds5

About N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 17483718) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID17483718
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3sc(-c4ccccc4)cc23)ccn1
InChIInChI=1S/C19H16N4OS/c1-24-17-9-13(7-8-20-17)11-21-18-15-10-16(14-5-3-2-4-6-14)25-19(15)23-12-22-18/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeySLEIBJHDWYRYRJ-UHFFFAOYSA-N
XLogP4.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 17483718) is N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is COc1cc(CNc2ncnc3sc(-c4ccccc4)cc23)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SLEIBJHDWYRYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-17-9-13(7-8-20-17)11-21-18-15-10-16(14-5-3-2-4-6-14)25-19(15)23-12-22-18/h2-10,12H,11H2,1H3,(H,21,22,23).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).