6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine

C13H14N4O2 — CID 5338831

IUPAC6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
SMILESCOc1ccc(/C=N/Nc2cc(OC)ncn2)cc1
InChIInChI=1S/C13H14N4O2/c1-18-11-5-3-10(4-6-11)8-16-17-12-7-13(19-2)15-9-14-12/h3-9H,1-2H3,(H,14,15,17)/b16-8+
InChIKeyMRWOAEGGQWCTOI-LZYBPNLTSA-N
MW258.28 g/mol
LogP1.94
Rot. Bonds5

About 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine

6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine (PubChem CID 5338831) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
PubChem CID5338831
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
SMILESCOc1ccc(/C=N/Nc2cc(OC)ncn2)cc1
InChIInChI=1S/C13H14N4O2/c1-18-11-5-3-10(4-6-11)8-16-17-12-7-13(19-2)15-9-14-12/h3-9H,1-2H3,(H,14,15,17)/b16-8+
InChIKeyMRWOAEGGQWCTOI-LZYBPNLTSA-N
XLogP1.94
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.94
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

2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
4-Methoxybenzaldehyde [2,6-bis(dimethylamino)-4-pyrimidinyl]hydrazone
CID 9586074
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
4-(4-Butoxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 9589764
4-{4-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9610620
N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6866645
2-(4-Methoxyphenyl)pyrimidine
CID 10943178
N-[2-(4-methoxyphenyl)ethyl]-4-pyrimidinamine hydrochloride
CID 2965286
4-Methoxybenzaldehyde (2,6-di-1-pyrrolidinyl-4-pyrimidinyl)hydrazone
CID 5334618
4-Methoxybenzaldehyde (2-amino-6-methyl-4-pyrimidinyl)hydrazone
CID 5350050
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 9607467
6-[(2E)-2-[(2-Methoxyphenyl)methylidene]hydrazin-1-YL]-N2,N2,N4,N4-tetramethylpyrimidine-2,4-diamine
CID 9698414

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine (CID 5338831) is 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine is COc1ccc(/C=N/Nc2cc(OC)ncn2)cc1.
What is the InChIKey of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
The InChIKey is MRWOAEGGQWCTOI-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-18-11-5-3-10(4-6-11)8-16-17-12-7-13(19-2)15-9-14-12/h3-9H,1-2H3,(H,14,15,17)/b16-8+.
What are the key properties of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine has a molecular weight of 258.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 5338831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).