N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C14H17N5OS — CID 80903962

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C14H17N5OS/c1-21-14-17-12(7-13(18-14)19-15)16-8-10-6-9-4-2-3-5-11(9)20-10/h2-5,7,10H,6,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyKIQPBQORXJKSOF-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.90
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80903962) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80903962
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C14H17N5OS/c1-21-14-17-12(7-13(18-14)19-15)16-8-10-6-9-4-2-3-5-11(9)20-10/h2-5,7,10H,6,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyKIQPBQORXJKSOF-UHFFFAOYSA-N
XLogP1.90
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80797490
6-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547099
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
CID 78988897
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80821761
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80903442
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62233906
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80903962) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NCC2Cc3ccccc3O2)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is KIQPBQORXJKSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-21-14-17-12(7-13(18-14)19-15)16-8-10-6-9-4-2-3-5-11(9)20-10/h2-5,7,10H,6,8,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 303.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80903962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).