6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine

C24H24FN5O — CID 70977384

IUPAC6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC(C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1F
InChIInChI=1S/C24H24FN5O/c1-15(17-7-5-8-18(11-17)19-13-26-30(3)14-19)27-23-12-21(28-16(2)29-23)20-9-6-10-22(31-4)24(20)25/h5-15H,1-4H3,(H,27,28,29)
InChIKeyXOWRITXNQVIJBR-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.17
Rot. Bonds6

About 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine

6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 70977384) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID70977384
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NC(C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1F
InChIInChI=1S/C24H24FN5O/c1-15(17-7-5-8-18(11-17)19-13-26-30(3)14-19)27-23-12-21(28-16(2)29-23)20-9-6-10-22(31-4)24(20)25/h5-15H,1-4H3,(H,27,28,29)
InChIKeyXOWRITXNQVIJBR-UHFFFAOYSA-N
XLogP5.17
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (CID 70977384) is 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is COc1cccc(-c2cc(NC(C)c3cccc(-c4cnn(C)c4)c3)nc(C)n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is XOWRITXNQVIJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15(17-7-5-8-18(11-17)19-13-26-30(3)14-19)27-23-12-21(28-16(2)29-23)20-9-6-10-22(31-4)24(20)25/h5-15H,1-4H3,(H,27,28,29).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 417.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 70977384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).