5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride

C14H18ClN3O2 — CID 3041131

IUPAC5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(-c2ccccc2)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18;/h4-8,10H,9H2,1-3H3;1H
InChIKeyCPQWIOQWVFEFBP-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.02
Rot. Bonds3

About 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride

5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride (PubChem CID 3041131) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride
PubChem CID3041131
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(-c2ccccc2)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18;/h4-8,10H,9H2,1-3H3;1H
InChIKeyCPQWIOQWVFEFBP-UHFFFAOYSA-N
XLogP1.02
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride (CID 3041131) is 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride is CN(C)Cc1cn(-c2ccccc2)c(=O)n(C)c1=O.Cl.
What is the InChIKey of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is CPQWIOQWVFEFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18;/h4-8,10H,9H2,1-3H3;1H.
What are the key properties of 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride?
5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3041131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).