[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol

C14H14N2O2 — CID 114245014

IUPAC[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
SMILESCc1cnc(C2COc3ccccc32)nc1CO
InChIInChI=1S/C14H14N2O2/c1-9-6-15-14(16-12(9)7-17)11-8-18-13-5-3-2-4-10(11)13/h2-6,11,17H,7-8H2,1H3
InChIKeyOXGLCULKSFINPZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.80
Rot. Bonds2

About [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol

[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol (PubChem CID 114245014) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
PubChem CID114245014
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
SMILESCc1cnc(C2COc3ccccc32)nc1CO
InChIInChI=1S/C14H14N2O2/c1-9-6-15-14(16-12(9)7-17)11-8-18-13-5-3-2-4-10(11)13/h2-6,11,17H,7-8H2,1H3
InChIKeyOXGLCULKSFINPZ-UHFFFAOYSA-N
XLogP1.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
CID 116646662
[3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol
CID 79229392
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109342
4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084227
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431983
5-(1-chloroethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidine
CID 65406034
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326930
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764129
5-bromo-2-(2,3-dihydro-1-benzofuran-3-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480601
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
CID 106574438

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol (CID 114245014) is [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol is Cc1cnc(C2COc3ccccc32)nc1CO.
What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol?
The InChIKey is OXGLCULKSFINPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-15-14(16-12(9)7-17)11-8-18-13-5-3-2-4-10(11)13/h2-6,11,17H,7-8H2,1H3.
What are the key properties of [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol?
[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol has a molecular weight of 242.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 114245014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).