2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide

C17H28N4O3 — CID 135881344

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide
SMILESCC[C@@](C)(CNC(=O)Cc1c(C)nc(C)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C17H28N4O3/c1-5-17(4,21-6-8-24-9-7-21)11-18-15(22)10-14-12(2)19-13(3)20-16(14)23/h5-11H2,1-4H3,(H,18,22)(H,19,20,23)/t17-/m0/s1
InChIKeyDIKQOCNDILVXHJ-KRWDZBQOSA-N
MW336.44 g/mol
LogP0.55
Rot. Bonds6

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide (PubChem CID 135881344) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide
PubChem CID135881344
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide
SMILESCC[C@@](C)(CNC(=O)Cc1c(C)nc(C)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C17H28N4O3/c1-5-17(4,21-6-8-24-9-7-21)11-18-15(22)10-14-12(2)19-13(3)20-16(14)23/h5-11H2,1-4H3,(H,18,22)(H,19,20,23)/t17-/m0/s1
InChIKeyDIKQOCNDILVXHJ-KRWDZBQOSA-N
XLogP0.55
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide with MolForge

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Related Compounds

ethyl 4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 135896960
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
2,6-dimethyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136147249
5-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136266229
5-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 137295740
N-(2-Methoxyethyl)-2-(4-methylpiperazin-1-YL)-4-oxo-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepine-7-carboxamide
CID 136665475
2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858381
2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858382
5-[2-(2-ethyl-2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4(3H)-one
CID 136052445
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979
2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
CID 170353550
2,3-dimethyl-7-(3-morpholin-4-ylpropanoyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 50974041

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide (CID 135881344) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide is CC[C@@](C)(CNC(=O)Cc1c(C)nc(C)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
The InChIKey is DIKQOCNDILVXHJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-17(4,21-6-8-24-9-7-21)11-18-15(22)10-14-12(2)19-13(3)20-16(14)23/h5-11H2,1-4H3,(H,18,22)(H,19,20,23)/t17-/m0/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]acetamide is sourced from PubChem (CID 135881344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).