N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H24N4O3 — CID 72904643

IUPACN-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c1-10-8-19(9-11(2)22-10)6-4-5-16-14(20)13-7-17-12(3)18-15(13)21/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,20)(H,17,18,21)/t10-,11+
InChIKeyYBAQBSXUPHXWLY-PHIMTYICSA-N
MW308.38 g/mol
LogP0.31
Rot. Bonds5

About N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72904643) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72904643
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1
InChIInChI=1S/C15H24N4O3/c1-10-8-19(9-11(2)22-10)6-4-5-16-14(20)13-7-17-12(3)18-15(13)21/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,20)(H,17,18,21)/t10-,11+
InChIKeyYBAQBSXUPHXWLY-PHIMTYICSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
2-isopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56874336
2-methyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56869394
5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56876065
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549658
2-propan-2-yl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554072
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95555739
5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95555740
2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 71220711
N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56705889

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72904643) is N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1.
What is the InChIKey of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YBAQBSXUPHXWLY-PHIMTYICSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-8-19(9-11(2)22-10)6-4-5-16-14(20)13-7-17-12(3)18-15(13)21/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,20)(H,17,18,21)/t10-,11+.
What are the key properties of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72904643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).