1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione

C18H24N4O2 — CID 18129466

IUPAC1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1N1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C18H24N4O2/c1-14-6-4-5-7-16(14)22-10-8-21(9-11-22)13-15-12-17(23)20(3)18(24)19(15)2/h4-7,12H,8-11,13H2,1-3H3
InChIKeyYQHJSWAMHGMRTR-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.71
Rot. Bonds3

About 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione (PubChem CID 18129466) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione
PubChem CID18129466
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1N1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C18H24N4O2/c1-14-6-4-5-7-16(14)22-10-8-21(9-11-22)13-15-12-17(23)20(3)18(24)19(15)2/h4-7,12H,8-11,13H2,1-3H3
InChIKeyYQHJSWAMHGMRTR-UHFFFAOYSA-N
XLogP0.71
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673823
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 18129465
6-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580714
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300
8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11474152
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119909687
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione (CID 18129466) is 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione is Cc1ccccc1N1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is YQHJSWAMHGMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-6-4-5-7-16(14)22-10-8-21(9-11-22)13-15-12-17(23)20(3)18(24)19(15)2/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 328.42 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 18129466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).