4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine

C20H20N4S — CID 67948639

IUPAC4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc2c(c(N(C)c3ccccc3)n1)CSC2
InChIInChI=1S/C20H20N4S/c1-14-8-6-7-11-17(14)21-20-22-18-13-25-12-16(18)19(23-20)24(2)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,21,22,23)
InChIKeyPZWRAVCWWLOWLU-UHFFFAOYSA-N
MW348.48 g/mol
LogP5.04
Rot. Bonds4

About 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine

4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine (PubChem CID 67948639) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
PubChem CID67948639
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc2c(c(N(C)c3ccccc3)n1)CSC2
InChIInChI=1S/C20H20N4S/c1-14-8-6-7-11-17(14)21-20-22-18-13-25-12-16(18)19(23-20)24(2)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,21,22,23)
InChIKeyPZWRAVCWWLOWLU-UHFFFAOYSA-N
XLogP5.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 55.04
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-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine (CID 67948639) is 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine is Cc1ccccc1Nc1nc2c(c(N(C)c3ccccc3)n1)CSC2.
What is the InChIKey of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is PZWRAVCWWLOWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-14-8-6-7-11-17(14)21-20-22-18-13-25-12-16(18)19(23-20)24(2)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine?
4-N-methyl-2-N-(2-methylphenyl)-4-N-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 348.48 g/mol, XLogP of 5.04, 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-phenyl-5,7-dihydrothieno[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67948639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).