2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide

C18H28N4O4 — CID 95895680

IUPAC2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)C[C@@H]1COCCN1C(=O)CCc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C18H28N4O4/c1-4-7-19-16(23)10-14-11-26-9-8-22(14)17(24)6-5-15-12(2)20-18(25)21-13(15)3/h14H,4-11H2,1-3H3,(H,19,23)(H,20,21,25)/t14-/m1/s1
InChIKeyIMRBOSUKKBQZRM-CQSZACIVSA-N
MW364.45 g/mol
LogP0.46
Rot. Bonds7

About 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide

2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide (PubChem CID 95895680) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide
PubChem CID95895680
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)C[C@@H]1COCCN1C(=O)CCc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C18H28N4O4/c1-4-7-19-16(23)10-14-11-26-9-8-22(14)17(24)6-5-15-12(2)20-18(25)21-13(15)3/h14H,4-11H2,1-3H3,(H,19,23)(H,20,21,25)/t14-/m1/s1
InChIKeyIMRBOSUKKBQZRM-CQSZACIVSA-N
XLogP0.46
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide (CID 95895680) is 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide is CCCNC(=O)C[C@@H]1COCCN1C(=O)CCc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide?
The InChIKey is IMRBOSUKKBQZRM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-4-7-19-16(23)10-14-11-26-9-8-22(14)17(24)6-5-15-12(2)20-18(25)21-13(15)3/h14H,4-11H2,1-3H3,(H,19,23)(H,20,21,25)/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide?
2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide has a molecular weight of 364.45 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]morpholin-3-yl]-N-propylacetamide is sourced from PubChem (CID 95895680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).