2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid

C20H20N4O3 — CID 69490799

IUPAC2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(Nc1nc(-c2ccncc2)cc(=O)n1C)C(=O)O
InChIInChI=1S/C20H20N4O3/c1-13(14-6-4-3-5-7-14)18(19(26)27)23-20-22-16(12-17(25)24(20)2)15-8-10-21-11-9-15/h3-13,18H,1-2H3,(H,22,23)(H,26,27)
InChIKeyODZRZYHZOILXDZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.51
Rot. Bonds6

About 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid

2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid (PubChem CID 69490799) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid
PubChem CID69490799
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(Nc1nc(-c2ccncc2)cc(=O)n1C)C(=O)O
InChIInChI=1S/C20H20N4O3/c1-13(14-6-4-3-5-7-14)18(19(26)27)23-20-22-16(12-17(25)24(20)2)15-8-10-21-11-9-15/h3-13,18H,1-2H3,(H,22,23)(H,26,27)
InChIKeyODZRZYHZOILXDZ-UHFFFAOYSA-N
XLogP2.51
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid?
The IUPAC name of 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid (CID 69490799) is 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid?
The canonical SMILES for 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid is CC(c1ccccc1)C(Nc1nc(-c2ccncc2)cc(=O)n1C)C(=O)O.
What is the InChIKey of 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid?
The InChIKey is ODZRZYHZOILXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(14-6-4-3-5-7-14)18(19(26)27)23-20-22-16(12-17(25)24(20)2)15-8-10-21-11-9-15/h3-13,18H,1-2H3,(H,22,23)(H,26,27).
What are the key properties of 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid?
2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid has a molecular weight of 364.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]-3-phenylbutanoic acid is sourced from PubChem (CID 69490799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).