(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid

C13H17N3O4 — CID 125118699

IUPAC(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C13H17N3O4/c1-8(2)11-9(5-14-7-15-11)12(17)16-3-4-20-10(6-16)13(18)19/h5,7-8,10H,3-4,6H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyNBKCKHCFZDEFHH-SNVBAGLBSA-N
MW279.30 g/mol
LogP0.53
Rot. Bonds3

About (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 125118699) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID125118699
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C13H17N3O4/c1-8(2)11-9(5-14-7-15-11)12(17)16-3-4-20-10(6-16)13(18)19/h5,7-8,10H,3-4,6H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyNBKCKHCFZDEFHH-SNVBAGLBSA-N
XLogP0.53
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148639
(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 125137080
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556
(3R,4R)-4-cyclopropyl-1-(4-propan-2-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978340
4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 65204851
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526129
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 125134277
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid (CID 125118699) is (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid is CC(C)c1ncncc1C(=O)N1CCO[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is NBKCKHCFZDEFHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8(2)11-9(5-14-7-15-11)12(17)16-3-4-20-10(6-16)13(18)19/h5,7-8,10H,3-4,6H2,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 125118699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).