N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine

C14H15N3O2 — CID 167927874

IUPACN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cncnc1NCc1cccc2c1OCC2
InChIInChI=1S/C14H15N3O2/c1-18-12-8-15-9-17-14(12)16-7-11-4-2-3-10-5-6-19-13(10)11/h2-4,8-9H,5-7H2,1H3,(H,15,16,17)
InChIKeyKMWOXGVODLLVRN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine

N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine (PubChem CID 167927874) 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-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine
PubChem CID167927874
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine
SMILESCOc1cncnc1NCc1cccc2c1OCC2
InChIInChI=1S/C14H15N3O2/c1-18-12-8-15-9-17-14(12)16-7-11-4-2-3-10-5-6-19-13(10)11/h2-4,8-9H,5-7H2,1H3,(H,15,16,17)
InChIKeyKMWOXGVODLLVRN-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-2-amine
CID 136569642
[2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-pyridinyl)methyl]hydrazine
CID 105341902
5-[(1S)-1-(2,3-dihydro-1-benzofuran-7-ylmethylamino)ethyl]-2-methoxybenzoic acid
CID 166263940
N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 130543368
4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine
CID 105371643
3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 114747264
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
CID 83878008
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
CID 66319729

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine (CID 167927874) is N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine is COc1cncnc1NCc1cccc2c1OCC2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-amine?
The InChIKey is KMWOXGVODLLVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-12-8-15-9-17-14(12)16-7-11-4-2-3-10-5-6-19-13(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-4-amine?
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-5-methoxypyrimidin-4-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-4-amine is sourced from PubChem (CID 167927874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).