5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine

C25H19N3OS — CID 14639140

IUPAC5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2ccccc2)nc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H19N3OS/c26-24-22-21(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)29-25(22)28-20(27-24)16-30-19-14-8-3-9-15-19/h1-15H,16H2,(H2,26,27,28)
InChIKeyCLKLDTIKJMOGHV-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.43
Rot. Bonds5

About 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine

5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 14639140) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID14639140
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(CSc2ccccc2)nc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H19N3OS/c26-24-22-21(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)29-25(22)28-20(27-24)16-30-19-14-8-3-9-15-19/h1-15H,16H2,(H2,26,27,28)
InChIKeyCLKLDTIKJMOGHV-UHFFFAOYSA-N
XLogP6.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

ethyl 4-amino-5,6-diphenylfuro[2,3-d]pyrimidine-2-carboxylate
CID 14639123
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
ethyl 4-amino-6-methyl-2-(quinolin-2-ylsulfanylmethyl)furo[2,3-d]pyrimidine-5-carboxylate
CID 40658830
3-(2-methylpropyl)-5,6-diphenylfuro[2,3-d]pyrimidin-3-ium-4-amine
CID 7108247
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65142179
2-[(4-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 27913615
ethyl 4-amino-6-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 51174013
ethyl 4-amino-6-methyl-2-(phenylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647714
5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17428582
N-methyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65143603
N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 11236121
3-[(4-bromophenyl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 54095590

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine (CID 14639140) is 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine is Nc1nc(CSc2ccccc2)nc2oc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is CLKLDTIKJMOGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c26-24-22-21(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)29-25(22)28-20(27-24)16-30-19-14-8-3-9-15-19/h1-15H,16H2,(H2,26,27,28).
What are the key properties of 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine?
5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 409.51 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-2-(phenylsulfanylmethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 14639140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).