4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine

C13H14N4O — CID 114262820

IUPAC4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc3c(c2)COC3)ncn1
InChIInChI=1S/C13H14N4O/c1-14-12-5-13(16-8-15-12)17-11-3-2-9-6-18-7-10(9)4-11/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyNRBUKJQIYCCHMD-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.29
Rot. Bonds3

About 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine

4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114262820) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID114262820
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc3c(c2)COC3)ncn1
InChIInChI=1S/C13H14N4O/c1-14-12-5-13(16-8-15-12)17-11-3-2-9-6-18-7-10(9)4-11/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyNRBUKJQIYCCHMD-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
4-N-[(4aR)-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-yl]-6-N-methylpyrimidine-4,6-diamine
CID 138516142
4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoic acid
CID 69162548
6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine
CID 80762676
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 115265409

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine (CID 114262820) is 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc3c(c2)COC3)ncn1.
What is the InChIKey of 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is NRBUKJQIYCCHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-14-12-5-13(16-8-15-12)17-11-3-2-9-6-18-7-10(9)4-11/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 242.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114262820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).