3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C15H17ClN4O2 — CID 4622527

IUPAC3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C15H17ClN4O2/c1-18-6-8-19(9-7-18)13-10-14(21)20(15(22)17-13)12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3,(H,17,22)
InChIKeySOGFJQLZLRYRKC-UHFFFAOYSA-N
MW320.78 g/mol
LogP0.93
Rot. Bonds2

About 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 4622527) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID4622527
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C15H17ClN4O2/c1-18-6-8-19(9-7-18)13-10-14(21)20(15(22)17-13)12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3,(H,17,22)
InChIKeySOGFJQLZLRYRKC-UHFFFAOYSA-N
XLogP0.93
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SR1848
CID 3238389
2,4-Imidazolidinedione, 3-(4-chlorophenyl)-
CID 723871
1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
CID 2179730
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918
N-(4-chlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 1367800
2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905880
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 4622527) is 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is CN1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SOGFJQLZLRYRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-18-6-8-19(9-7-18)13-10-14(21)20(15(22)17-13)12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3,(H,17,22).
What are the key properties of 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 320.78 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4622527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).