N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine

C15H15N3O — CID 114734639

IUPACN,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C15H15N3O/c1-9-5-4-6-11-7-12(19-14(9)11)13-10(2)15(16-3)18-8-17-13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyUODLOZUPMCTYCU-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.55
Rot. Bonds2

About N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine

N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734639) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734639
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC NameN,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C15H15N3O/c1-9-5-4-6-11-7-12(19-14(9)11)13-10(2)15(16-3)18-8-17-13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyUODLOZUPMCTYCU-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
N-methyl-6-(7-methyl-1-benzofuran-2-yl)-5-nitropyrimidin-4-amine
CID 114734671
6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114734652
N-ethyl-5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734685
5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734623
N,5-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 113324602
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734621
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734578
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734511

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734639) is N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is CNc1ncnc(-c2cc3cccc(C)c3o2)c1C.
What is the InChIKey of N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is UODLOZUPMCTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-5-4-6-11-7-12(19-14(9)11)13-10(2)15(16-3)18-8-17-13/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 253.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).