N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

C21H17ClN4 — CID 4077407

IUPACN-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2c3ccccc3c(Cl)c3ccccc23)n1
InChIInChI=1S/C21H17ClN4/c1-13-11-14(2)25-21(24-13)26-23-12-19-15-7-3-5-9-17(15)20(22)18-10-6-4-8-16(18)19/h3-12H,1-2H3,(H,24,25,26)
InChIKeyGXUSCERMBYARLK-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.50
Rot. Bonds3

About N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 4077407) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID4077407
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC NameN-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2c3ccccc3c(Cl)c3ccccc23)n1
InChIInChI=1S/C21H17ClN4/c1-13-11-14(2)25-21(24-13)26-23-12-19-15-7-3-5-9-17(15)20(22)18-10-6-4-8-16(18)19/h3-12H,1-2H3,(H,24,25,26)
InChIKeyGXUSCERMBYARLK-UHFFFAOYSA-N
XLogP5.50
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
CID 3575879
2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 6018685
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
CID 6059144
N-[2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 2334192
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013477
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
CID 7937324
4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
CID 42994964
4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 135795487
4,6-dimethyl-N-[(Z)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 6010547
4,6-dimethyl-N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 4102946

Frequently Asked Questions

What is the IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 4077407) is N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NN=Cc2c3ccccc3c(Cl)c3ccccc23)n1.
What is the InChIKey of N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is GXUSCERMBYARLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-13-11-14(2)25-21(24-13)26-23-12-19-15-7-3-5-9-17(15)20(22)18-10-6-4-8-16(18)19/h3-12H,1-2H3,(H,24,25,26).
What are the key properties of N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 360.85 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 4077407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).