2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H16N4OS — CID 11360029

IUPAC2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H16N4OS/c1-24-19-22-17(21-11-14-9-5-6-10-20-14)16-15(12-25-18(16)23-19)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyBODCPCLWQFAAFK-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds5

About 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 11360029) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID11360029
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H16N4OS/c1-24-19-22-17(21-11-14-9-5-6-10-20-14)16-15(12-25-18(16)23-19)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyBODCPCLWQFAAFK-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

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Related Compounds

2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68622417
2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 67382340
5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623687
5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
CID 67382151
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 87519051
2-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 146424626
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
N-[(3-methylphenyl)methyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166060910
5-(3-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 66835775
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
5-(3,4-difluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68621492

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 11360029) is 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BODCPCLWQFAAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-19-22-17(21-11-14-9-5-6-10-20-14)16-15(12-25-18(16)23-19)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,22,23).
What are the key properties of 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[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 2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11360029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).