6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine

C16H16FN3O — CID 114734829

IUPAC6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc3cc(F)ccc3o2)nc(C)n1
InChIInChI=1S/C16H16FN3O/c1-3-6-18-16-9-13(19-10(2)20-16)15-8-11-7-12(17)4-5-14(11)21-15/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyXJSZGQYWTJBYQS-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.16
Rot. Bonds4

About 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine

6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 114734829) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID114734829
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc3cc(F)ccc3o2)nc(C)n1
InChIInChI=1S/C16H16FN3O/c1-3-6-18-16-9-13(19-10(2)20-16)15-8-11-7-12(17)4-5-14(11)21-15/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyXJSZGQYWTJBYQS-UHFFFAOYSA-N
XLogP4.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734785
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80755574
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82479379
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729086

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine (CID 114734829) is 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cc3cc(F)ccc3o2)nc(C)n1.
What is the InChIKey of 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is XJSZGQYWTJBYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-6-18-16-9-13(19-10(2)20-16)15-8-11-7-12(17)4-5-14(11)21-15/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine?
6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 285.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114734829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).