2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C21H21N5OS — CID 67382340

IUPAC2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H21N5OS/c1-27-12-11-23-21-25-19(24-13-16-9-5-6-10-22-16)18-17(14-28-20(18)26-21)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H2,23,24,25,26)
InChIKeyQLYOHMOBYPLSKH-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.42
Rot. Bonds8

About 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 67382340) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID67382340
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H21N5OS/c1-27-12-11-23-21-25-19(24-13-16-9-5-6-10-22-16)18-17(14-28-20(18)26-21)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H2,23,24,25,26)
InChIKeyQLYOHMOBYPLSKH-UHFFFAOYSA-N
XLogP4.42
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68622417
5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
CID 67382151
5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623687
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
2-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 146424626
2-chloro-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 87519051
4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine
CID 39046785
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
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
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 67382340) is 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is COCCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QLYOHMOBYPLSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-27-12-11-23-21-25-19(24-13-16-9-5-6-10-22-16)18-17(14-28-20(18)26-21)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H2,23,24,25,26).
What are the key properties of 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 391.50 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67382340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).