2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one

C10H16N3O2+ — CID 135737098

IUPAC2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C[NH+]2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-8-11-9(6-10(14)12-8)7-13-2-4-15-5-3-13/h6H,2-5,7H2,1H3,(H,11,12,14)/p+1
InChIKeyPAIIAJPTGSYXIY-UHFFFAOYSA-O
MW210.26 g/mol
LogP-1.51
Rot. Bonds2

About 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one

2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135737098) has the molecular formula C10H16N3O2+ and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135737098
Molecular FormulaC10H16N3O2+
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Name2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C[NH+]2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-8-11-9(6-10(14)12-8)7-13-2-4-15-5-3-13/h6H,2-5,7H2,1H3,(H,11,12,14)/p+1
InChIKeyPAIIAJPTGSYXIY-UHFFFAOYSA-O
XLogP-1.51
TPSA59.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one (CID 135737098) is 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(C[NH+]2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is PAIIAJPTGSYXIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15N3O2/c1-8-11-9(6-10(14)12-8)7-13-2-4-15-5-3-13/h6H,2-5,7H2,1H3,(H,11,12,14)/p+1.
What are the key properties of 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one?
2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 210.26 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135737098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).