N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

C16H19ClN4O2 — CID 9013542

IUPACN-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCCOc1cc(/C=N\Nc2nc(C)cc(C)n2)cc(Cl)c1OC
InChIInChI=1S/C16H19ClN4O2/c1-5-23-14-8-12(7-13(17)15(14)22-4)9-18-21-16-19-10(2)6-11(3)20-16/h6-9H,5H2,1-4H3,(H,19,20,21)/b18-9-
InChIKeyHHTYMPAAAGRLGE-NVMNQCDNSA-N
MW334.81 g/mol
LogP3.60
Rot. Bonds6

About N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013542) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013542
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCCOc1cc(/C=N\Nc2nc(C)cc(C)n2)cc(Cl)c1OC
InChIInChI=1S/C16H19ClN4O2/c1-5-23-14-8-12(7-13(17)15(14)22-4)9-18-21-16-19-10(2)6-11(3)20-16/h6-9H,5H2,1-4H3,(H,19,20,21)/b18-9-
InChIKeyHHTYMPAAAGRLGE-NVMNQCDNSA-N
XLogP3.60
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.60
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

4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3511527
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea
CID 19617965
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531201
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578846
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110535551
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029863
2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136787034
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 110515767
N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013542) is N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is CCOc1cc(/C=N\Nc2nc(C)cc(C)n2)cc(Cl)c1OC.
What is the InChIKey of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is HHTYMPAAAGRLGE-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-5-23-14-8-12(7-13(17)15(14)22-4)9-18-21-16-19-10(2)6-11(3)20-16/h6-9H,5H2,1-4H3,(H,19,20,21)/b18-9-.
What are the key properties of N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 334.81 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).