2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

C15H20N4O4 — CID 97454633

IUPAC2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O4/c1-10-16-9-11(13(20)17-10)14(21)19-4-2-3-12(19)15(22)18-5-7-23-8-6-18/h9,12H,2-8H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyHNGWUUAQQLOXNR-GFCCVEGCSA-N
MW320.35 g/mol
LogP-0.46
Rot. Bonds2

About 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 97454633) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID97454633
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O4/c1-10-16-9-11(13(20)17-10)14(21)19-4-2-3-12(19)15(22)18-5-7-23-8-6-18/h9,12H,2-8H2,1H3,(H,16,17,20)/t12-/m1/s1
InChIKeyHNGWUUAQQLOXNR-GFCCVEGCSA-N
XLogP-0.46
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide (non-preferred name)
CID 72903491
2-Methyl-5-{[2-(morpholin-4-ylcarbonyl)pyrrolidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72926040
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 72933374
2-methyl-5-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97454634
N-({rel-(2S,5R)-1-(cyclopropylmethyl)-5-[2-(4-morpholinyl)-2-oxoethyl]-2-pyrrolidinyl}methyl)-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 166619883
2-methyl-N-({rel-(2S,5R)-1-methyl-5-[2-(4-morpholinyl)-2-oxoethyl]-2-pyrrolidinyl}methyl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 166620101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (CID 97454633) is 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is HNGWUUAQQLOXNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10-16-9-11(13(20)17-10)14(21)19-4-2-3-12(19)15(22)18-5-7-23-8-6-18/h9,12H,2-8H2,1H3,(H,16,17,20)/t12-/m1/s1.
What are the key properties of 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 320.35 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97454633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).