6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione

C7H11N3O2 — CID 14326885

IUPAC6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-10(2)4-5-3-6(11)9-7(12)8-5/h3H,4H2,1-2H3,(H2,8,9,11,12)
InChIKeyBDIDHEXADXWUKF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.88
Rot. Bonds2

About 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione

6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 14326885) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
PubChem CID14326885
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-10(2)4-5-3-6(11)9-7(12)8-5/h3H,4H2,1-2H3,(H2,8,9,11,12)
InChIKeyBDIDHEXADXWUKF-UHFFFAOYSA-N
XLogP-0.88
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione (CID 14326885) is 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione is CN(C)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BDIDHEXADXWUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(2)4-5-3-6(11)9-7(12)8-5/h3H,4H2,1-2H3,(H2,8,9,11,12).
What are the key properties of 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione?
6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14326885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).