2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate

C18H29N3O5 — CID 145172890

IUPAC2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
SMILESCc1[nH]c(=O)n([C@H](C(=O)OCC(C)C)C(C)C)c(=O)c1N1CCOCC1
InChIInChI=1S/C18H29N3O5/c1-11(2)10-26-17(23)14(12(3)4)21-16(22)15(13(5)19-18(21)24)20-6-8-25-9-7-20/h11-12,14H,6-10H2,1-5H3,(H,19,24)/t14-/m0/s1
InChIKeyUQXHAWDIUMEHBW-AWEZNQCLSA-N
MW367.45 g/mol
LogP1.08
Rot. Bonds6

About 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate

2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate (PubChem CID 145172890) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate.

Molecular Properties

Compound Name2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
PubChem CID145172890
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
SMILESCc1[nH]c(=O)n([C@H](C(=O)OCC(C)C)C(C)C)c(=O)c1N1CCOCC1
InChIInChI=1S/C18H29N3O5/c1-11(2)10-26-17(23)14(12(3)4)21-16(22)15(13(5)19-18(21)24)20-6-8-25-9-7-20/h11-12,14H,6-10H2,1-5H3,(H,19,24)/t14-/m0/s1
InChIKeyUQXHAWDIUMEHBW-AWEZNQCLSA-N
XLogP1.08
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate 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 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate?
The IUPAC name of 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate (CID 145172890) is 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate.
What is the SMILES notation for 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate?
The canonical SMILES for 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate is Cc1[nH]c(=O)n([C@H](C(=O)OCC(C)C)C(C)C)c(=O)c1N1CCOCC1.
What is the InChIKey of 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate?
The InChIKey is UQXHAWDIUMEHBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-11(2)10-26-17(23)14(12(3)4)21-16(22)15(13(5)19-18(21)24)20-6-8-25-9-7-20/h11-12,14H,6-10H2,1-5H3,(H,19,24)/t14-/m0/s1.
What are the key properties of 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate?
2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate has a molecular weight of 367.45 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S)-3-methyl-2-(6-methyl-5-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-3-yl)butanoate is sourced from PubChem (CID 145172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).