6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C19H15N5OS — CID 66777328

IUPAC6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccoc2)n1
InChIInChI=1S/C19H15N5OS/c20-19-23-17(13-7-10-25-12-13)11-18(24-19)22-14-1-3-15(4-2-14)26-16-5-8-21-9-6-16/h1-12H,(H3,20,22,23,24)
InChIKeyFMILKVRFNZPTQV-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.61
Rot. Bonds5

About 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 66777328) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID66777328
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccoc2)n1
InChIInChI=1S/C19H15N5OS/c20-19-23-17(13-7-10-25-12-13)11-18(24-19)22-14-1-3-15(4-2-14)26-16-5-8-21-9-6-16/h1-12H,(H3,20,22,23,24)
InChIKeyFMILKVRFNZPTQV-UHFFFAOYSA-N
XLogP4.61
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 66777328) is 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(Sc3ccncc3)cc2)cc(-c2ccoc2)n1.
What is the InChIKey of 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FMILKVRFNZPTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c20-19-23-17(13-7-10-25-12-13)11-18(24-19)22-14-1-3-15(4-2-14)26-16-5-8-21-9-6-16/h1-12H,(H3,20,22,23,24).
What are the key properties of 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 361.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66777328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).