4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one

C14H19N5O2 — CID 137140131

IUPAC4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(Cc3nc[nH]c3C)CCO2)n1
InChIInChI=1S/C14H19N5O2/c1-9-5-13(20)18-14(17-9)12-7-19(3-4-21-12)6-11-10(2)15-8-16-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,15,16)(H,17,18,20)/t12-/m0/s1
InChIKeyQCNCFUYAXBZQBL-LBPRGKRZSA-N
MW289.34 g/mol
LogP0.68
Rot. Bonds3

About 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137140131) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137140131
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(Cc3nc[nH]c3C)CCO2)n1
InChIInChI=1S/C14H19N5O2/c1-9-5-13(20)18-14(17-9)12-7-19(3-4-21-12)6-11-10(2)15-8-16-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,15,16)(H,17,18,20)/t12-/m0/s1
InChIKeyQCNCFUYAXBZQBL-LBPRGKRZSA-N
XLogP0.68
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (CID 137140131) is 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@@H]2CN(Cc3nc[nH]c3C)CCO2)n1.
What is the InChIKey of 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is QCNCFUYAXBZQBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-5-13(20)18-14(17-9)12-7-19(3-4-21-12)6-11-10(2)15-8-16-11/h5,8,12H,3-4,6-7H2,1-2H3,(H,15,16)(H,17,18,20)/t12-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 289.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137140131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).