(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid

C15H21N3O5 — CID 137066024

IUPAC(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C15H21N3O5/c1-8-10(11(19)17-14(16-8)15(2,3)4)12(20)18-5-6-23-9(7-18)13(21)22/h9H,5-7H2,1-4H3,(H,21,22)(H,16,17,19)/t9-/m1/s1
InChIKeyUADWMAXTFOALIV-SECBINFHSA-N
MW323.35 g/mol
LogP0.30
Rot. Bonds2

About (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 137066024) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID137066024
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C15H21N3O5/c1-8-10(11(19)17-14(16-8)15(2,3)4)12(20)18-5-6-23-9(7-18)13(21)22/h9H,5-7H2,1-4H3,(H,21,22)(H,16,17,19)/t9-/m1/s1
InChIKeyUADWMAXTFOALIV-SECBINFHSA-N
XLogP0.30
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 137052388
2-tert-butyl-4-methyl-5-[(3S)-3-(methylsulfanylmethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 136722513
5-[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
CID 136886998
2-tert-butyl-5-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one
CID 136778283
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
2-tert-butyl-4-methyl-5-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 137152242
2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 137030069
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 119358036
1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 137031893
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119238946
4-acetylmorpholine-2-carboxylic acid
CID 20598078

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid (CID 137066024) is (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCO[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is UADWMAXTFOALIV-SECBINFHSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-8-10(11(19)17-14(16-8)15(2,3)4)12(20)18-5-6-23-9(7-18)13(21)22/h9H,5-7H2,1-4H3,(H,21,22)(H,16,17,19)/t9-/m1/s1.
What are the key properties of (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 137066024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).