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

C20H18N4S — CID 10066220

IUPAC4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1
InChIInChI=1S/C20H18N4S/c1-14-8-6-7-11-16(14)21-20-22-17-12-13-25-18(17)19(23-20)24(2)15-9-4-3-5-10-15/h3-13H,1-2H3,(H,21,22,23)
InChIKeyHTFDXILAZBGPEJ-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.51
Rot. Bonds4

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

4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 10066220) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID10066220
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1
InChIInChI=1S/C20H18N4S/c1-14-8-6-7-11-16(14)21-20-22-17-12-13-25-18(17)19(23-20)24(2)15-9-4-3-5-10-15/h3-13H,1-2H3,(H,21,22,23)
InChIKeyHTFDXILAZBGPEJ-UHFFFAOYSA-N
XLogP5.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine (CID 10066220) is 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine is Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1.
What is the InChIKey of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is HTFDXILAZBGPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-14-8-6-7-11-16(14)21-20-22-17-12-13-25-18(17)19(23-20)24(2)15-9-4-3-5-10-15/h3-13H,1-2H3,(H,21,22,23).
What are the key properties of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 346.46 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10066220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).