2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid

C19H25N5O3 — CID 72888111

IUPAC2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
SMILESCN(Cc1cccnc1)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O3/c1-19(2,17(25)26)15-12-21-18(22-16(15)24-7-9-27-10-8-24)23(3)13-14-5-4-6-20-11-14/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26)
InChIKeyWXYVIXXCICRTKD-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.71
Rot. Bonds6

About 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid

2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid (PubChem CID 72888111) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
PubChem CID72888111
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
SMILESCN(Cc1cccnc1)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O3/c1-19(2,17(25)26)15-12-21-18(22-16(15)24-7-9-27-10-8-24)23(3)13-14-5-4-6-20-11-14/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26)
InChIKeyWXYVIXXCICRTKD-UHFFFAOYSA-N
XLogP1.71
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid (CID 72888111) is 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid is CN(Cc1cccnc1)c1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
The InChIKey is WXYVIXXCICRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-19(2,17(25)26)15-12-21-18(22-16(15)24-7-9-27-10-8-24)23(3)13-14-5-4-6-20-11-14/h4-6,11-12H,7-10,13H2,1-3H3,(H,25,26).
What are the key properties of 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid has a molecular weight of 371.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 72888111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).