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

C20H17FN4S — CID 10406472

IUPAC2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1
InChIInChI=1S/C20H17FN4S/c1-13-12-14(21)8-9-16(13)22-20-23-17-10-11-26-18(17)19(24-20)25(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24)
InChIKeyFTZCQVACADOUBP-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.65
Rot. Bonds4

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

2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 10406472) has the molecular formula C20H17FN4S and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID10406472
Molecular FormulaC20H17FN4S
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1
InChIInChI=1S/C20H17FN4S/c1-13-12-14(21)8-9-16(13)22-20-23-17-10-11-26-18(17)19(24-20)25(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24)
InChIKeyFTZCQVACADOUBP-UHFFFAOYSA-N
XLogP5.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine (CID 10406472) is 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine is Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is FTZCQVACADOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4S/c1-13-12-14(21)8-9-16(13)22-20-23-17-10-11-26-18(17)19(24-20)25(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10406472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).