2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one

C15H25N3O2 — CID 137081943

IUPAC2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)N2CCO[C@@H](C(C)(C)C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-10-8-13(19)17-14(16-10)11(2)18-6-7-20-12(9-18)15(3,4)5/h8,11-12H,6-7,9H2,1-5H3,(H,16,17,19)/t11-,12+/m0/s1
InChIKeyPUZBFKMAHPZDRG-NWDGAFQWSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds2

About 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one

2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137081943) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137081943
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H](C)N2CCO[C@@H](C(C)(C)C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-10-8-13(19)17-14(16-10)11(2)18-6-7-20-12(9-18)15(3,4)5/h8,11-12H,6-7,9H2,1-5H3,(H,16,17,19)/t11-,12+/m0/s1
InChIKeyPUZBFKMAHPZDRG-NWDGAFQWSA-N
XLogP1.89
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-[(1S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-4-carboxylate
CID 137081941
2-[(1R)-1-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137212603
1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one
CID 136674869
2-[(1S)-1-(4-anilinopiperidin-1-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136898186
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-[(1S)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137117551
4-methyl-2-[1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1H-pyrimidin-6-one
CID 167745586
4-methyl-2-[1-(7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-1H-pyrimidin-6-one
CID 154756119
2-[(1S)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137117563
2-[(1S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136674836
2-[(1S)-1-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137117578
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one (CID 137081943) is 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H](C)N2CCO[C@@H](C(C)(C)C)C2)n1.
What is the InChIKey of 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PUZBFKMAHPZDRG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-8-13(19)17-14(16-10)11(2)18-6-7-20-12(9-18)15(3,4)5/h8,11-12H,6-7,9H2,1-5H3,(H,16,17,19)/t11-,12+/m0/s1.
What are the key properties of 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(2S)-2-tert-butylmorpholin-4-yl]ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137081943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).