N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine

C15H16N4O2 — CID 3363670

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H16N4O2/c1-10-7-11(2)18-15(17-10)19-16-9-12-3-4-13-14(8-12)21-6-5-20-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyWDTVZVJVHMGROL-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.31
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine (PubChem CID 3363670) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine
PubChem CID3363670
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H16N4O2/c1-10-7-11(2)18-15(17-10)19-16-9-12-3-4-13-14(8-12)21-6-5-20-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyWDTVZVJVHMGROL-UHFFFAOYSA-N
XLogP2.31
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135691059
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
2-N,4-N-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 169448282
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 73242471
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 40650984
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
CID 75534449
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6181482
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-nitrophenol
CID 135583629
N-[2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 2334192

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine (CID 3363670) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NN=Cc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is WDTVZVJVHMGROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-7-11(2)18-15(17-10)19-16-9-12-3-4-13-14(8-12)21-6-5-20-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 284.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 3363670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).