N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine

C19H19N5O — CID 3099348

IUPACN-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine
SMILESCOc1cc(NN=C(C)c2cccc(N)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c1-13(15-9-6-10-16(20)11-15)23-24-17-12-18(25-2)22-19(21-17)14-7-4-3-5-8-14/h3-12H,20H2,1-2H3,(H,21,22,24)
InChIKeyMPYJMBDOGUVDBR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.57
Rot. Bonds5

About N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine

N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine (PubChem CID 3099348) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine
PubChem CID3099348
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine
SMILESCOc1cc(NN=C(C)c2cccc(N)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c1-13(15-9-6-10-16(20)11-15)23-24-17-12-18(25-2)22-19(21-17)14-7-4-3-5-8-14/h3-12H,20H2,1-2H3,(H,21,22,24)
InChIKeyMPYJMBDOGUVDBR-UHFFFAOYSA-N
XLogP3.57
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine
CID 29225172
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135533004
4-N,6-N-bis[1-(4-methylsulfonylphenyl)ethylideneamino]-2-phenylpyrimidine-4,6-diamine
CID 139976484
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9257586
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine (CID 3099348) is N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine is COc1cc(NN=C(C)c2cccc(N)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine?
The InChIKey is MPYJMBDOGUVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13(15-9-6-10-16(20)11-15)23-24-17-12-18(25-2)22-19(21-17)14-7-4-3-5-8-14/h3-12H,20H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine?
N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 3099348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).