4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine

C16H17N3O — CID 114734607

IUPAC4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2cc3cccc(C)c3o2)n1
InChIInChI=1S/C16H17N3O/c1-3-8-17-16-18-9-7-13(19-16)14-10-12-6-4-5-11(2)15(12)20-14/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyQBYNZNCVCLBUQY-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.02
Rot. Bonds4

About 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine

4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine (PubChem CID 114734607) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
PubChem CID114734607
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2cc3cccc(C)c3o2)n1
InChIInChI=1S/C16H17N3O/c1-3-8-17-16-18-9-7-13(19-16)14-10-12-6-4-5-11(2)15(12)20-14/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyQBYNZNCVCLBUQY-UHFFFAOYSA-N
XLogP4.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
CID 114735069
5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734601
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
N'-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278875
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-propylpyrimidin-2-amine
CID 170573663
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114735047
N-propyl-4-quinolin-7-ylpyrimidin-2-amine
CID 81221832
N-ethyl-5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734685
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine (CID 114734607) is 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2cc3cccc(C)c3o2)n1.
What is the InChIKey of 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine?
The InChIKey is QBYNZNCVCLBUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-8-17-16-18-9-7-13(19-16)14-10-12-6-4-5-11(2)15(12)20-14/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine?
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114734607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).