N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine

C14H15N3O — CID 146270414

IUPACN-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(Nc2cccc3c2CCO3)nc1C
InChIInChI=1S/C14H15N3O/c1-9-8-15-14(16-10(9)2)17-12-4-3-5-13-11(12)6-7-18-13/h3-5,8H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyHSFUNCGCCATEIV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.77
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine

N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine (PubChem CID 146270414) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine
PubChem CID146270414
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(Nc2cccc3c2CCO3)nc1C
InChIInChI=1S/C14H15N3O/c1-9-8-15-14(16-10(9)2)17-12-4-3-5-13-11(12)6-7-18-13/h3-5,8H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyHSFUNCGCCATEIV-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine (CID 146270414) is N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine is Cc1cnc(Nc2cccc3c2CCO3)nc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine?
The InChIKey is HSFUNCGCCATEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-8-15-14(16-10(9)2)17-12-4-3-5-13-11(12)6-7-18-13/h3-5,8H,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine?
N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 146270414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).