6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine

C24H22FN5O — CID 123786193

IUPAC6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
SMILESCOc1ccccc1C(C)CNc1cc(-c2ccnc(-c3ccnc(F)c3)c2)ncn1
InChIInChI=1S/C24H22FN5O/c1-16(19-5-3-4-6-22(19)31-2)14-28-24-13-21(29-15-30-24)17-7-9-26-20(11-17)18-8-10-27-23(25)12-18/h3-13,15-16H,14H2,1-2H3,(H,28,29,30)
InChIKeySTYNXHJNKOBBPH-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.96
Rot. Bonds7

About 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine

6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine (PubChem CID 123786193) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
PubChem CID123786193
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
SMILESCOc1ccccc1C(C)CNc1cc(-c2ccnc(-c3ccnc(F)c3)c2)ncn1
InChIInChI=1S/C24H22FN5O/c1-16(19-5-3-4-6-22(19)31-2)14-28-24-13-21(29-15-30-24)17-7-9-26-20(11-17)18-8-10-27-23(25)12-18/h3-13,15-16H,14H2,1-2H3,(H,28,29,30)
InChIKeySTYNXHJNKOBBPH-UHFFFAOYSA-N
XLogP4.96
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
Rwj-68354
CID 9819053
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine (CID 123786193) is 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine is COc1ccccc1C(C)CNc1cc(-c2ccnc(-c3ccnc(F)c3)c2)ncn1.
What is the InChIKey of 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
The InChIKey is STYNXHJNKOBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-16(19-5-3-4-6-22(19)31-2)14-28-24-13-21(29-15-30-24)17-7-9-26-20(11-17)18-8-10-27-23(25)12-18/h3-13,15-16H,14H2,1-2H3,(H,28,29,30).
What are the key properties of 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine?
6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine has a molecular weight of 415.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluoro-4-pyridinyl)-4-pyridinyl]-N-[2-(2-methoxyphenyl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 123786193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).