5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride

C15H20ClN3O2 — CID 3041143

IUPAC5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride
SMILESCc1c(CN(C)C)c(=O)n(-c2ccccc2)c(=O)n1C.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-11-13(10-16(2)3)14(19)18(15(20)17(11)4)12-8-6-5-7-9-12;/h5-9H,10H2,1-4H3;1H
InChIKeyBDJONXMUSMCOGY-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.33
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride

5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride (PubChem CID 3041143) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride
PubChem CID3041143
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride
SMILESCc1c(CN(C)C)c(=O)n(-c2ccccc2)c(=O)n1C.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-11-13(10-16(2)3)14(19)18(15(20)17(11)4)12-8-6-5-7-9-12;/h5-9H,10H2,1-4H3;1H
InChIKeyBDJONXMUSMCOGY-UHFFFAOYSA-N
XLogP1.33
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione
CID 255219
6-anilino-3-methyl-1H-pyrimidine-2,4-dione
CID 777246
3-methyl-6-(methylamino)-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 3549761
6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2457625
5-[[4-(Azepan-1-yl)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 3962106
6-(methylanilino)-2,4(1H,3H)-pyrimidinedione
CID 309819
Cambridge id 5356508
CID 761462
2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-(methylphenylamino)-
CID 181503
6-Anilino-1,3-dimethylpyrimidine-2,4-dione
CID 726711
6-Amino-3-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 1649256
5-((4-(Dimethylamino)phenyl)methylene)-1,3-dimethylbarbituric acid
CID 93617

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride (CID 3041143) is 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride is Cc1c(CN(C)C)c(=O)n(-c2ccccc2)c(=O)n1C.Cl.
What is the InChIKey of 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is BDJONXMUSMCOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-11-13(10-16(2)3)14(19)18(15(20)17(11)4)12-8-6-5-7-9-12;/h5-9H,10H2,1-4H3;1H.
What are the key properties of 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride?
5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3041143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).