[4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium

C19H20FN4O+ — CID 140634876

IUPAC[4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium
SMILESCOc1ccccc1-c1cc([NH2+]c2ccc(N(C)C)c(F)c2)ncn1
InChIInChI=1S/C19H19FN4O/c1-24(2)17-9-8-13(10-15(17)20)23-19-11-16(21-12-22-19)14-6-4-5-7-18(14)25-3/h4-12H,1-3H3,(H,21,22,23)/p+1
InChIKeyTVTAXSKFTDVEJK-UHFFFAOYSA-O
MW339.39 g/mol
LogP2.88
Rot. Bonds5

About [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium

[4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium (PubChem CID 140634876) has the molecular formula C19H20FN4O+ and a molecular weight of 339.39 g/mol. Its IUPAC name is [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium.

Molecular Properties

Compound Name[4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium
PubChem CID140634876
Molecular FormulaC19H20FN4O+
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium
SMILESCOc1ccccc1-c1cc([NH2+]c2ccc(N(C)C)c(F)c2)ncn1
InChIInChI=1S/C19H19FN4O/c1-24(2)17-9-8-13(10-15(17)20)23-19-11-16(21-12-22-19)14-6-4-5-7-18(14)25-3/h4-12H,1-3H3,(H,21,22,23)/p+1
InChIKeyTVTAXSKFTDVEJK-UHFFFAOYSA-O
XLogP2.88
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
[3-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridinyl]methanamine
CID 68917587
N-(furan-2-ylmethyl)-6-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 3233622
potassium;[3-(chloromethyl)-4-methoxyphenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium;2-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]isoindole-1,3-dione;molecular hydrogen;3-oxoisoindol-1-olate;chloride
CID 162237041
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzaldehyde
CID 158811665
4-chloro-6-(2-methoxyphenyl)pyrimidine;4,6-dichloropyrimidine;(2-methoxyphenyl)boronic acid
CID 158633238
[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] N,N-dimethylcarbamate
CID 73335147
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]azanium
CID 144580791
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium?
The IUPAC name of [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium (CID 140634876) is [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium.
What is the SMILES notation for [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium?
The canonical SMILES for [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium is COc1ccccc1-c1cc([NH2+]c2ccc(N(C)C)c(F)c2)ncn1.
What is the InChIKey of [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium?
The InChIKey is TVTAXSKFTDVEJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19FN4O/c1-24(2)17-9-8-13(10-15(17)20)23-19-11-16(21-12-22-19)14-6-4-5-7-18(14)25-3/h4-12H,1-3H3,(H,21,22,23)/p+1.
What are the key properties of [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium?
[4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium has a molecular weight of 339.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-fluorophenyl]-[6-(2-methoxyphenyl)pyrimidin-4-yl]azanium is sourced from PubChem (CID 140634876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).