4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine

C13H14N4O — CID 80835656

IUPAC4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2COc3ccccc32)ncn1
InChIInChI=1S/C13H14N4O/c1-14-12-6-13(16-8-15-12)17-10-7-18-11-5-3-2-4-9(10)11/h2-6,8,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyVCQMMKBPOBFYPK-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.06
Rot. Bonds3

About 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine

4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80835656) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80835656
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2COc3ccccc32)ncn1
InChIInChI=1S/C13H14N4O/c1-14-12-6-13(16-8-15-12)17-10-7-18-11-5-3-2-4-9(10)11/h2-6,8,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyVCQMMKBPOBFYPK-UHFFFAOYSA-N
XLogP2.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
CID 113367866
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80836114
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-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80835746
N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine
CID 108774219
6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951585
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
CID 106574438
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 63933528

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine (CID 80835656) is 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NC2COc3ccccc32)ncn1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is VCQMMKBPOBFYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-14-12-6-13(16-8-15-12)17-10-7-18-11-5-3-2-4-9(10)11/h2-6,8,10H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 242.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80835656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).