6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine

C18H13FN4O — CID 132967651

IUPAC6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)c(F)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H13FN4O/c19-15-16(14-10-11-6-4-5-9-13(11)24-14)22-18(20)23-17(15)21-12-7-2-1-3-8-12/h1-10H,(H3,20,21,22,23)
InChIKeyMWFSWMKSIZHKJR-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.35
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine

6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 132967651) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
PubChem CID132967651
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)c(F)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H13FN4O/c19-15-16(14-10-11-6-4-5-9-13(11)24-14)22-18(20)23-17(15)21-12-7-2-1-3-8-12/h1-10H,(H3,20,21,22,23)
InChIKeyMWFSWMKSIZHKJR-UHFFFAOYSA-N
XLogP4.35
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
4-(1-benzofuran-2-yl)-5-benzyl-6-naphthalen-1-ylpyrimidin-2-amine
CID 139449762
4-(1-benzofuran-2-yl)-5-benzyl-6-pyridin-2-ylpyrimidin-2-amine
CID 139449796
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
5-(3,4-difluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 69227473
4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909353
5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128196
6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine
CID 135136834
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
CID 114734078
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine (CID 132967651) is 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine is Nc1nc(Nc2ccccc2)c(F)c(-c2cc3ccccc3o2)n1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is MWFSWMKSIZHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-15-16(14-10-11-6-4-5-9-13(11)24-14)22-18(20)23-17(15)21-12-7-2-1-3-8-12/h1-10H,(H3,20,21,22,23).
What are the key properties of 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 320.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 132967651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).