methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate

C14H13N3O3 — CID 116646662

IUPACmethyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C2COc3ccccc32)nc1N
InChIInChI=1S/C14H13N3O3/c1-19-14(18)9-6-16-13(17-12(9)15)10-7-20-11-5-3-2-4-8(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17)
InChIKeyHBXDGPXKOXZJMA-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.37
Rot. Bonds2

About methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate

methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate (PubChem CID 116646662) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
PubChem CID116646662
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C2COc3ccccc32)nc1N
InChIInChI=1S/C14H13N3O3/c1-19-14(18)9-6-16-13(17-12(9)15)10-7-20-11-5-3-2-4-8(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17)
InChIKeyHBXDGPXKOXZJMA-UHFFFAOYSA-N
XLogP1.37
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
CID 114245014
methyl 4-amino-2-(2,2-dimethylcyclopropyl)pyrimidine-5-carboxylate
CID 107924798
methyl 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)pyrimidine-5-carboxylate
CID 116646737
methyl 5-acetyl-2-(2,3-dihydro-1-benzofuran-3-yl)-1,3-thiazole-4-carboxylate
CID 106696563
methyl 2-(9H-xanthen-9-yl)benzoate
CID 19816670
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate
CID 80572524
methyl 2-(2,3-dihydro-1-benzofuran-3-ylamino)butanoate
CID 113292622
methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 116646649
4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084227
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate (CID 116646662) is methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate is COC(=O)c1cnc(C2COc3ccccc32)nc1N.
What is the InChIKey of methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate?
The InChIKey is HBXDGPXKOXZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-14(18)9-6-16-13(17-12(9)15)10-7-20-11-5-3-2-4-8(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17).
What are the key properties of methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate?
methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).