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

C7H11N3O2 — CID 67282495

IUPAC2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-10(2)4-5-8-6(11)3-7(12)9-5/h3H,4H2,1-2H3,(H2,8,9,11,12)
InChIKeyITRRQHPEDIQMQF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.46
Rot. Bonds2

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

2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 67282495) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID67282495
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-10(2)4-5-8-6(11)3-7(12)9-5/h3H,4H2,1-2H3,(H2,8,9,11,12)
InChIKeyITRRQHPEDIQMQF-UHFFFAOYSA-N
XLogP-0.46
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 67282495) is 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is CN(C)Cc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ITRRQHPEDIQMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(2)4-5-8-6(11)3-7(12)9-5/h3H,4H2,1-2H3,(H2,8,9,11,12).
What are the key properties of 2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.46, 2 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-1H-pyrimidin-6-one is sourced from PubChem (CID 67282495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).