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

C15H19N5O3 — CID 137140053

IUPAC4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCn1cc(C(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1
InChIInChI=1S/C15H19N5O3/c1-19-8-11(7-18-19)15(22)20-4-5-23-13(9-20)3-2-12-6-14(21)17-10-16-12/h6-8,10,13H,2-5,9H2,1H3,(H,16,17,21)/t13-/m0/s1
InChIKeyOXECGNCIFIDJQI-ZDUSSCGKSA-N
MW317.35 g/mol
LogP-0.02
Rot. Bonds4

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

4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137140053) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137140053
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCn1cc(C(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1
InChIInChI=1S/C15H19N5O3/c1-19-8-11(7-18-19)15(22)20-4-5-23-13(9-20)3-2-12-6-14(21)17-10-16-12/h6-8,10,13H,2-5,9H2,1H3,(H,16,17,21)/t13-/m0/s1
InChIKeyOXECGNCIFIDJQI-ZDUSSCGKSA-N
XLogP-0.02
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2S)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137044881
4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844752
4-[2-[(2S)-4-[2-(4-methylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140122
4-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844658
4-[2-[(2S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140115
4-[2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136793128
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110114065
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037840
4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137106048
4-[2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131781
4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844736
4-[2-[(2R)-4-(2-thiophen-2-ylacetyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137168578

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137140053) is 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is Cn1cc(C(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1.
What is the InChIKey of 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is OXECGNCIFIDJQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-19-8-11(7-18-19)15(22)20-4-5-23-13(9-20)3-2-12-6-14(21)17-10-16-12/h6-8,10,13H,2-5,9H2,1H3,(H,16,17,21)/t13-/m0/s1.
What are the key properties of 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 317.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137140053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).