2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one

C8H13N3O2 — CID 137272501

IUPAC2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(CO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-11(2)4-7-9-6(5-12)3-8(13)10-7/h3,12H,4-5H2,1-2H3,(H,9,10,13)
InChIKeyBHBKKZYASJKCRA-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.68
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one

2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 137272501) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID137272501
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(CO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-11(2)4-7-9-6(5-12)3-8(13)10-7/h3,12H,4-5H2,1-2H3,(H,9,10,13)
InChIKeyBHBKKZYASJKCRA-UHFFFAOYSA-N
XLogP-0.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]-1H-pyrimidin-6-one
CID 136802055
2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one
CID 136842569
4-ethyl-2-[[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 136748601
4-ethyl-2-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 136748600
4-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-1H-pyrimidin-6-one
CID 136794907
2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824
[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methanol
CID 15566034
4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
CID 136842575
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 136678766
4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135978360
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one (CID 137272501) is 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one is CN(C)Cc1nc(CO)cc(=O)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is BHBKKZYASJKCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11(2)4-7-9-6(5-12)3-8(13)10-7/h3,12H,4-5H2,1-2H3,(H,9,10,13).
What are the key properties of 2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one?
2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.68, 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-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137272501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).