2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine

C20H18N4S — CID 10315630

IUPAC2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N(C)c2ccccc2)c2sccc2n1
InChIInChI=1S/C20H18N4S/c1-23(15-9-5-3-6-10-15)19-18-17(13-14-25-18)21-20(22-19)24(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyVVJMZWUBRHBXOH-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.23
Rot. Bonds4

About 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine

2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 10315630) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID10315630
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N(C)c2ccccc2)c2sccc2n1
InChIInChI=1S/C20H18N4S/c1-23(15-9-5-3-6-10-15)19-18-17(13-14-25-18)21-20(22-19)24(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyVVJMZWUBRHBXOH-UHFFFAOYSA-N
XLogP5.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine (CID 10315630) is 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine is CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2sccc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is VVJMZWUBRHBXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-23(15-9-5-3-6-10-15)19-18-17(13-14-25-18)21-20(22-19)24(2)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 346.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N,4-N-diphenylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10315630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).