2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine

C21H20N4OS — CID 10474673

IUPAC2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(C)c3ccccc3)c3sccc3n2)c(C)c1
InChIInChI=1S/C21H20N4OS/c1-14-13-16(26-3)9-10-17(14)22-21-23-18-11-12-27-19(18)20(24-21)25(2)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,23,24)
InChIKeyDPFAFMCRRCYZMW-UHFFFAOYSA-N
MW376.49 g/mol
LogP5.52
Rot. Bonds5

About 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 10474673) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID10474673
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(C)c3ccccc3)c3sccc3n2)c(C)c1
InChIInChI=1S/C21H20N4OS/c1-14-13-16(26-3)9-10-17(14)22-21-23-18-11-12-27-19(18)20(24-21)25(2)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,23,24)
InChIKeyDPFAFMCRRCYZMW-UHFFFAOYSA-N
XLogP5.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine (CID 10474673) is 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N(C)c3ccccc3)c3sccc3n2)c(C)c1.
What is the InChIKey of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DPFAFMCRRCYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-13-16(26-3)9-10-17(14)22-21-23-18-11-12-27-19(18)20(24-21)25(2)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,23,24).
What are the key properties of 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 376.49 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10474673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).