2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

C15H24N4O3 — CID 136967960

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C15H24N4O3/c1-10-6-14(20)18-13(17-10)4-5-16-15(21)9-19-7-11(2)22-12(3)8-19/h6,11-12H,4-5,7-9H2,1-3H3,(H,16,21)(H,17,18,20)/t11-,12+
InChIKeyNUXALVDYDRZDRF-TXEJJXNPSA-N
MW308.38 g/mol
LogP-0.15
Rot. Bonds5

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (PubChem CID 136967960) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
PubChem CID136967960
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C15H24N4O3/c1-10-6-14(20)18-13(17-10)4-5-16-15(21)9-19-7-11(2)22-12(3)8-19/h6,11-12H,4-5,7-9H2,1-3H3,(H,16,21)(H,17,18,20)/t11-,12+
InChIKeyNUXALVDYDRZDRF-TXEJJXNPSA-N
XLogP-0.15
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-(morpholinomethyl)-4-pyrimidinol
CID 135408235
2-Cyclopropyl-6-[(2,6-dimethylmorpholino)methyl]-4-pyrimidinol
CID 135442477
2-Methyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135452238
6-[(2,6-Dimethylmorpholino)methyl]-2-isopropyl-4-pyrimidinol
CID 135501747
2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844269
4-methyl-2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844331
2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136538282
4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137145764
4-methyl-2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137145765
2-Isopropyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135486292
4-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844271
1-Methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 141087183

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (CID 136967960) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is Cc1cc(=O)[nH]c(CCNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is NUXALVDYDRZDRF-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-6-14(20)18-13(17-10)4-5-16-15(21)9-19-7-11(2)22-12(3)8-19/h6,11-12H,4-5,7-9H2,1-3H3,(H,16,21)(H,17,18,20)/t11-,12+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 136967960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).