4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

C16H21N5O3 — CID 137166547

IUPAC4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCn1cc(C(=O)N2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)c(C)n1
InChIInChI=1S/C16H21N5O3/c1-4-20-8-12(10(2)19-20)16(23)21-5-6-24-9-14(21)13-7-15(22)18-11(3)17-13/h7-8,14H,4-6,9H2,1-3H3,(H,17,18,22)/t14-/m0/s1
InChIKeyJYBNUARGDUDFHW-AWEZNQCLSA-N
MW331.38 g/mol
LogP0.82
Rot. Bonds3

About 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137166547) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137166547
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCn1cc(C(=O)N2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)c(C)n1
InChIInChI=1S/C16H21N5O3/c1-4-20-8-12(10(2)19-20)16(23)21-5-6-24-9-14(21)13-7-15(22)18-11(3)17-13/h7-8,14H,4-6,9H2,1-3H3,(H,17,18,22)/t14-/m0/s1
InChIKeyJYBNUARGDUDFHW-AWEZNQCLSA-N
XLogP0.82
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(3S)-4-(1-ethyl-5-methylpyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032362
2-methyl-4-[(3S)-4-(4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168474
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844551
2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137166586
4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032320
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140093
2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844565
2-methyl-4-[(3R)-4-(quinoline-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149633
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844628
4-[(3S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137131793
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 137166547) is 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is CCn1cc(C(=O)N2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)c(C)n1.
What is the InChIKey of 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JYBNUARGDUDFHW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-4-20-8-12(10(2)19-20)16(23)21-5-6-24-9-14(21)13-7-15(22)18-11(3)17-13/h7-8,14H,4-6,9H2,1-3H3,(H,17,18,22)/t14-/m0/s1.
What are the key properties of 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 331.38 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137166547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).