N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine

C14H15N3O2 — CID 136569642

IUPACN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCc2cccc3c2OCC3)nc1
InChIInChI=1S/C14H15N3O2/c1-18-12-8-16-14(17-9-12)15-7-11-4-2-3-10-5-6-19-13(10)11/h2-4,8-9H,5-7H2,1H3,(H,15,16,17)
InChIKeyZTKMXSHVAGWLND-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine

N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine (PubChem CID 136569642) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine
PubChem CID136569642
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NCc2cccc3c2OCC3)nc1
InChIInChI=1S/C14H15N3O2/c1-18-12-8-16-14(17-9-12)15-7-11-4-2-3-10-5-6-19-13(10)11/h2-4,8-9H,5-7H2,1H3,(H,15,16,17)
InChIKeyZTKMXSHVAGWLND-UHFFFAOYSA-N
XLogP2.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine
CID 167927874
N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
CID 114600732
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
2-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrimidine-2,5-diamine
CID 104702051
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
5-[(1S)-1-(2,3-dihydro-1-benzofuran-7-ylmethylamino)ethyl]-2-methoxybenzoic acid
CID 166263940
2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine
CID 114743879
7-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117277211
3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114744280
N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine
CID 130978395

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine (CID 136569642) is N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine is COc1cnc(NCc2cccc3c2OCC3)nc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine?
The InChIKey is ZTKMXSHVAGWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-12-8-16-14(17-9-12)15-7-11-4-2-3-10-5-6-19-13(10)11/h2-4,8-9H,5-7H2,1H3,(H,15,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine?
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 136569642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).