5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine

C20H15FN6O — CID 138963269

IUPAC5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c(-c3ccc(F)nc3)ccnc2-c2cnc(N)nc2)cn1
InChIInChI=1S/C20H15FN6O/c1-28-17-5-3-13(9-25-17)18-15(12-2-4-16(21)24-8-12)6-7-23-19(18)14-10-26-20(22)27-11-14/h2-11H,1H3,(H2,22,26,27)
InChIKeyWIATYYMEVYFVME-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.39
Rot. Bonds4

About 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine

5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 138963269) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID138963269
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c(-c3ccc(F)nc3)ccnc2-c2cnc(N)nc2)cn1
InChIInChI=1S/C20H15FN6O/c1-28-17-5-3-13(9-25-17)18-15(12-2-4-16(21)24-8-12)6-7-23-19(18)14-10-26-20(22)27-11-14/h2-11H,1H3,(H2,22,26,27)
InChIKeyWIATYYMEVYFVME-UHFFFAOYSA-N
XLogP3.39
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine with MolForge

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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
3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
6-Ethyl-5-[3-(2-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 118753247
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
1-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 16748086
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine (CID 138963269) is 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine is COc1ccc(-c2c(-c3ccc(F)nc3)ccnc2-c2cnc(N)nc2)cn1.
What is the InChIKey of 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is WIATYYMEVYFVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O/c1-28-17-5-3-13(9-25-17)18-15(12-2-4-16(21)24-8-12)6-7-23-19(18)14-10-26-20(22)27-11-14/h2-11H,1H3,(H2,22,26,27).
What are the key properties of 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine?
5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 374.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-fluoro-3-pyridinyl)-3-(6-methoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 138963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).