4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one

C17H26N4O4 — CID 91775571

IUPAC4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)nc(=O)[nH]1
InChIInChI=1S/C17H26N4O4/c1-11(2)7-12-8-13(19-17(24)18-12)16(23)21-9-14(15(22)10-21)20-3-5-25-6-4-20/h8,11,14-15,22H,3-7,9-10H2,1-2H3,(H,18,19,24)/t14-,15-/m0/s1
InChIKeyXWTOVOXPDVMNOE-GJZGRUSLSA-N
MW350.42 g/mol
LogP-0.51
Rot. Bonds4

About 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one

4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 91775571) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID91775571
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)nc(=O)[nH]1
InChIInChI=1S/C17H26N4O4/c1-11(2)7-12-8-13(19-17(24)18-12)16(23)21-9-14(15(22)10-21)20-3-5-25-6-4-20/h8,11,14-15,22H,3-7,9-10H2,1-2H3,(H,18,19,24)/t14-,15-/m0/s1
InChIKeyXWTOVOXPDVMNOE-GJZGRUSLSA-N
XLogP-0.51
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (CID 91775571) is 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)nc(=O)[nH]1.
What is the InChIKey of 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is XWTOVOXPDVMNOE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11(2)7-12-8-13(19-17(24)18-12)16(23)21-9-14(15(22)10-21)20-3-5-25-6-4-20/h8,11,14-15,22H,3-7,9-10H2,1-2H3,(H,18,19,24)/t14-,15-/m0/s1.
What are the key properties of 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 350.42 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 91775571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).