2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine

C17H19N3O — CID 63485228

IUPAC2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C17H19N3O/c1-17(2,3)14-10-15(18-4)20-16(19-14)13-9-11-7-5-6-8-12(11)21-13/h5-10H,1-4H3,(H,18,19,20)
InChIKeyRSNGJCHLCBWSHY-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.23
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine

2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine (PubChem CID 63485228) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine
PubChem CID63485228
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C17H19N3O/c1-17(2,3)14-10-15(18-4)20-16(19-14)13-9-11-7-5-6-8-12(11)21-13/h5-10H,1-4H3,(H,18,19,20)
InChIKeyRSNGJCHLCBWSHY-UHFFFAOYSA-N
XLogP4.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 62202771
6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine
CID 63480830
3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 63091500
6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62192683
2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
CID 55133578
2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 55193463
6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 55045442
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine
CID 114488664
[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine
CID 62251107
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 114734495

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine (CID 63485228) is 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The InChIKey is RSNGJCHLCBWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)14-10-15(18-4)20-16(19-14)13-9-11-7-5-6-8-12(11)21-13/h5-10H,1-4H3,(H,18,19,20).
What are the key properties of 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine?
2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63485228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).