4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C15H18N4OS — CID 80797490

IUPAC4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2Cc3ccccc3O2)nc(SC)n1
InChIInChI=1S/C15H18N4OS/c1-16-13-8-14(19-15(18-13)21-2)17-9-11-7-10-5-3-4-6-12(10)20-11/h3-6,8,11H,7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyACHTYFAUJHPGDN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.66
Rot. Bonds5

About 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80797490) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80797490
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2Cc3ccccc3O2)nc(SC)n1
InChIInChI=1S/C15H18N4OS/c1-16-13-8-14(19-15(18-13)21-2)17-9-11-7-10-5-3-4-6-12(10)20-11/h3-6,8,11H,7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyACHTYFAUJHPGDN-UHFFFAOYSA-N
XLogP2.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80903962
6-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547099
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80821761
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
CID 78988897
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
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62233906
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80797490) is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NCC2Cc3ccccc3O2)nc(SC)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is ACHTYFAUJHPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-16-13-8-14(19-15(18-13)21-2)17-9-11-7-10-5-3-4-6-12(10)20-11/h3-6,8,11H,7,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 302.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80797490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).