4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine

C15H18N4O — CID 80822499

IUPAC4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C15H18N4O/c1-9-14(16)18-10(2)19-15(9)17-8-12-7-11-5-3-4-6-13(11)20-12/h3-6,12H,7-8H2,1-2H3,(H3,16,17,18,19)
InChIKeyFAJQAZIDWTUFOB-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.09
Rot. Bonds3

About 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80822499) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80822499
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C15H18N4O/c1-9-14(16)18-10(2)19-15(9)17-8-12-7-11-5-3-4-6-13(11)20-12/h3-6,12H,7-8H2,1-2H3,(H3,16,17,18,19)
InChIKeyFAJQAZIDWTUFOB-UHFFFAOYSA-N
XLogP2.09
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80726070
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169646
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
CID 78988897
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106960297
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80822499) is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCC2Cc3ccccc3O2)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is FAJQAZIDWTUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-14(16)18-10(2)19-15(9)17-8-12-7-11-5-3-4-6-13(11)20-12/h3-6,12H,7-8H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.09, 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-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80822499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).