2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid

C18H29N5O3 — CID 72891892

IUPAC2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
SMILESCN1CCC(Nc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H29N5O3/c1-18(2,16(24)25)14-12-19-17(20-13-4-6-22(3)7-5-13)21-15(14)23-8-10-26-11-9-23/h12-13H,4-11H2,1-3H3,(H,24,25)(H,19,20,21)
InChIKeyHWDXNWLPXMEEQR-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.18
Rot. Bonds5

About 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid

2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid (PubChem CID 72891892) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
PubChem CID72891892
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
SMILESCN1CCC(Nc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H29N5O3/c1-18(2,16(24)25)14-12-19-17(20-13-4-6-22(3)7-5-13)21-15(14)23-8-10-26-11-9-23/h12-13H,4-11H2,1-3H3,(H,24,25)(H,19,20,21)
InChIKeyHWDXNWLPXMEEQR-UHFFFAOYSA-N
XLogP1.18
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid (CID 72891892) is 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid is CN1CCC(Nc2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
The InChIKey is HWDXNWLPXMEEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-18(2,16(24)25)14-12-19-17(20-13-4-6-22(3)7-5-13)21-15(14)23-8-10-26-11-9-23/h12-13H,4-11H2,1-3H3,(H,24,25)(H,19,20,21).
What are the key properties of 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid?
2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid has a molecular weight of 363.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 72891892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).