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

C7H12ClN3O2 — CID 21286215

IUPAC6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cc(=O)[nH]c(=O)[nH]1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10(2)4-5-3-6(11)9-7(12)8-5;/h3H,4H2,1-2H3,(H2,8,9,11,12);1H
InChIKeySGJHPANFCNILFY-UHFFFAOYSA-N
MW205.65 g/mol
LogP-0.45
Rot. Bonds2

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

6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 21286215) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID21286215
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cc(=O)[nH]c(=O)[nH]1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10(2)4-5-3-6(11)9-7(12)8-5;/h3H,4H2,1-2H3,(H2,8,9,11,12);1H
InChIKeySGJHPANFCNILFY-UHFFFAOYSA-N
XLogP-0.45
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 5-0.45
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;hydrochloride?
The IUPAC name of 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride (CID 21286215) is 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride is CN(C)Cc1cc(=O)[nH]c(=O)[nH]1.Cl.
What is the InChIKey of 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is SGJHPANFCNILFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-10(2)4-5-3-6(11)9-7(12)8-5;/h3H,4H2,1-2H3,(H2,8,9,11,12);1H.
What are the key properties of 6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
6-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of -0.45, 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;hydrochloride is sourced from PubChem (CID 21286215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).