N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine

C20H20N4O4 — CID 23477877

IUPACN-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H20N4O4/c1-4-23(15-7-5-6-14(2)12-15)19-18(24(25)26)20(22-13-21-19)28-17-10-8-16(27-3)9-11-17/h5-13H,4H2,1-3H3
InChIKeyUWPXDXVOEXZJOO-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.65
Rot. Bonds7

About N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine

N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine (PubChem CID 23477877) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
PubChem CID23477877
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
SMILESCCN(c1cccc(C)c1)c1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H20N4O4/c1-4-23(15-7-5-6-14(2)12-15)19-18(24(25)26)20(22-13-21-19)28-17-10-8-16(27-3)9-11-17/h5-13H,4H2,1-3H3
InChIKeyUWPXDXVOEXZJOO-UHFFFAOYSA-N
XLogP4.65
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-6-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477797
N-ethyl-6-naphthalen-1-yloxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23478138
4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539446
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477672
6-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477677
4-N-ethyl-6-N-(2-ethylphenyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477663
4-N,6-N-diethyl-5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 23478131
4-N-ethyl-6-N-(3-methylbutyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477836
6-N-(2-chloro-3-pyridinyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477874
6-(3,4-dimethylphenoxy)-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
CID 22527047
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenoxy)-5-nitropyrimidine
CID 22539179
N-butyl-N-methyl-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 23491811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine (CID 23477877) is N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine is CCN(c1cccc(C)c1)c1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine?
The InChIKey is UWPXDXVOEXZJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-4-23(15-7-5-6-14(2)12-15)19-18(24(25)26)20(22-13-21-19)28-17-10-8-16(27-3)9-11-17/h5-13H,4H2,1-3H3.
What are the key properties of N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine?
N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine has a molecular weight of 380.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23477877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).