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

C15H19N5O3 — CID 137166570

IUPAC4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O3/c1-11-17-12(8-14(21)18-11)13-9-20(6-7-23-13)15(22)2-4-19-5-3-16-10-19/h3,5,8,10,13H,2,4,6-7,9H2,1H3,(H,17,18,21)/t13-/m0/s1
InChIKeyKHZZERHHSBEONX-ZDUSSCGKSA-N
MW317.35 g/mol
LogP0.27
Rot. Bonds4

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

4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137166570) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137166570
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O3/c1-11-17-12(8-14(21)18-11)13-9-20(6-7-23-13)15(22)2-4-19-5-3-16-10-19/h3,5,8,10,13H,2,4,6-7,9H2,1H3,(H,17,18,21)/t13-/m0/s1
InChIKeyKHZZERHHSBEONX-ZDUSSCGKSA-N
XLogP0.27
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 137166570) is 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KHZZERHHSBEONX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-17-12(8-14(21)18-11)13-9-20(6-7-23-13)15(22)2-4-19-5-3-16-10-19/h3,5,8,10,13H,2,4,6-7,9H2,1H3,(H,17,18,21)/t13-/m0/s1.
What are the key properties of 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 317.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137166570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).