2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one

C14H17N3O2 — CID 79436574

IUPAC2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(CN(C)C)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-9-4-6-10(7-5-9)12-13(18)15-11(8-17(2)3)16-14(12)19/h4-7H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyNKSXBBXHEISARG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one

2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79436574) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79436574
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(CN(C)C)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-9-4-6-10(7-5-9)12-13(18)15-11(8-17(2)3)16-14(12)19/h4-7H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyNKSXBBXHEISARG-UHFFFAOYSA-N
XLogP1.51
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-(4-methylphenyl)-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
CID 79435826
5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 79439201
2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79441693
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79429800
5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 79442327
2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79437123
4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
CID 79436382
5-(4-chlorophenyl)-4-hydroxy-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 79438649
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
2-(2-aminoethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79442431
methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
CID 79436249
4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one
CID 65431560

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one (CID 79436574) is 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2c(O)nc(CN(C)C)[nH]c2=O)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is NKSXBBXHEISARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-6-10(7-5-9)12-13(18)15-11(8-17(2)3)16-14(12)19/h4-7H,8H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one?
2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79436574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).