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

C16H17N3O — CID 114734511

IUPACN,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2cc3cc(C)ccc3o2)c1C
InChIInChI=1S/C16H17N3O/c1-9-5-6-13-12(7-9)8-14(20-13)15-10(2)16(17-4)19-11(3)18-15/h5-8H,1-4H3,(H,17,18,19)
InChIKeyWCAWZVNNEVUADV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.86
Rot. Bonds2

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

N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734511) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734511
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2cc3cc(C)ccc3o2)c1C
InChIInChI=1S/C16H17N3O/c1-9-5-6-13-12(7-9)8-14(20-13)15-10(2)16(17-4)19-11(3)18-15/h5-8H,1-4H3,(H,17,18,19)
InChIKeyWCAWZVNNEVUADV-UHFFFAOYSA-N
XLogP3.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734578
N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
4-chloro-2-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine-5-carbaldehyde
CID 114734107
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
CID 114734506
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 114732239
N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343088

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734511) is N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is CNc1nc(C)nc(-c2cc3cc(C)ccc3o2)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is WCAWZVNNEVUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-9-5-6-13-12(7-9)8-14(20-13)15-10(2)16(17-4)19-11(3)18-15/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).