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

C18H21N5O2 — CID 137166499

IUPAC2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C18H21N5O2/c1-12-19-14(9-18(24)20-12)16-10-23(7-8-25-16)11-17-21-13-5-3-4-6-15(13)22(17)2/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,20,24)/t16-/m0/s1
InChIKeyJMKMWOMOGMHCAE-INIZCTEOSA-N
MW339.40 g/mol
LogP1.54
Rot. Bonds3

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

2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137166499) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137166499
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)cc(=O)[nH]1
InChIInChI=1S/C18H21N5O2/c1-12-19-14(9-18(24)20-12)16-10-23(7-8-25-16)11-17-21-13-5-3-4-6-15(13)22(17)2/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,20,24)/t16-/m0/s1
InChIKeyJMKMWOMOGMHCAE-INIZCTEOSA-N
XLogP1.54
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (CID 137166499) is 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is JMKMWOMOGMHCAE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-19-14(9-18(24)20-12)16-10-23(7-8-25-16)11-17-21-13-5-3-4-6-15(13)22(17)2/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,20,24)/t16-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 339.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137166499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).