2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine

C23H24N4O2S — CID 46943043

IUPAC2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCCOc2ccccc2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C23H24N4O2S/c1-28-14-12-25-23-26-19-16-20(17-8-4-2-5-9-17)30-21(19)22(27-23)24-13-15-29-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H2,24,25,26,27)
InChIKeyQOAJOMMJORMWKX-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.91
Rot. Bonds10

About 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46943043) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46943043
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(NCCOc2ccccc2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C23H24N4O2S/c1-28-14-12-25-23-26-19-16-20(17-8-4-2-5-9-17)30-21(19)22(27-23)24-13-15-29-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H2,24,25,26,27)
InChIKeyQOAJOMMJORMWKX-UHFFFAOYSA-N
XLogP4.91
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.91
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

3-[6-Methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]phenol
CID 25023739
(3R,5S)-5-[2-(4-{[(3-phenoxyphenyl)methyl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate
CID 25263253
3-{6-[(Dimethylamino)methyl]-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl}phenol
CID 25023741
3-(6-{[(2-Methoxyethyl)(methyl)amino]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
CID 25023742
N4-[3-(dimethylamino)propyl]-6-(6-methoxy-3-pyridyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325260
N*2*-(4-Methoxy-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10474673
6-[5-(difluoromethyl)thiophen-2-yl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11567324
[2-(4-Methoxy-phenyl)-ethyl]-[2-methoxy-6-(5-pyrrolidin-1-ylmethyl-thiophen-2-yl)-pyrimidin-4-yl]-amine
CID 11718798
N-(4-methoxyphenyl)-N-methyl-2-phenylthieno[3,2-d]pyrimidin-4-amine
CID 16666964
(6-Benzo[b]thiophen-2-yl-2-methoxy-pyrimidin-4-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53323184
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 53324508
1-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazole-3,5-diamine
CID 69270579

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine (CID 46943043) is 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(NCCOc2ccccc2)c2sc(-c3ccccc3)cc2n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QOAJOMMJORMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-28-14-12-25-23-26-19-16-20(17-8-4-2-5-9-17)30-21(19)22(27-23)24-13-15-29-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 420.54 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46943043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).