4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one

C16H21N5O2 — CID 137131722

IUPAC4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCNc1ncccc1CN1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C16H21N5O2/c1-11-8-14(22)20-16(19-11)13-10-21(6-7-23-13)9-12-4-3-5-18-15(12)17-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20,22)/t13-/m0/s1
InChIKeyYZQSPOYQGDHVOM-ZDUSSCGKSA-N
MW315.38 g/mol
LogP1.09
Rot. Bonds4

About 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137131722) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137131722
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCNc1ncccc1CN1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C16H21N5O2/c1-11-8-14(22)20-16(19-11)13-10-21(6-7-23-13)9-12-4-3-5-18-15(12)17-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20,22)/t13-/m0/s1
InChIKeyYZQSPOYQGDHVOM-ZDUSSCGKSA-N
XLogP1.09
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-methyl-2-[(2R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140130
4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140131
4-methyl-2-[(2S)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037811
4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137168467
4-methyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844361
2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844262
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168580
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 95829944
4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137030427
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one (CID 137131722) is 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one is CNc1ncccc1CN1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1.
What is the InChIKey of 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is YZQSPOYQGDHVOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-8-14(22)20-16(19-11)13-10-21(6-7-23-13)9-12-4-3-5-18-15(12)17-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20,22)/t13-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 315.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137131722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).