2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine

C15H16N4O — CID 115147916

IUPAC2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine
SMILESCc1nc2cc(N(C)c3ncc(N)cc3C)ccc2o1
InChIInChI=1S/C15H16N4O/c1-9-6-11(16)8-17-15(9)19(3)12-4-5-14-13(7-12)18-10(2)20-14/h4-8H,16H2,1-3H3
InChIKeyFWQWCRDPPMDBHY-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.19
Rot. Bonds2

About 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine

2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine (PubChem CID 115147916) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine
PubChem CID115147916
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine
SMILESCc1nc2cc(N(C)c3ncc(N)cc3C)ccc2o1
InChIInChI=1S/C15H16N4O/c1-9-6-11(16)8-17-15(9)19(3)12-4-5-14-13(7-12)18-10(2)20-14/h4-8H,16H2,1-3H3
InChIKeyFWQWCRDPPMDBHY-UHFFFAOYSA-N
XLogP3.19
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3,4-dimethylphenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147871
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147885
2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
CID 115147909
2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147920
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115147912
6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 115142851
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
CID 115147926
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
CID 115222828
2-amino-3-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179238
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
CID 115166115

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine (CID 115147916) is 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine is Cc1nc2cc(N(C)c3ncc(N)cc3C)ccc2o1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine?
The InChIKey is FWQWCRDPPMDBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-6-11(16)8-17-15(9)19(3)12-4-5-14-13(7-12)18-10(2)20-14/h4-8H,16H2,1-3H3.
What are the key properties of 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine?
2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine has a molecular weight of 268.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine is sourced from PubChem (CID 115147916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).