5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

C9H11ClN4O3 — CID 82512056

IUPAC5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1[nH]c(=O)[nH]c(=O)c1Cl)N1CCNCC1
InChIInChI=1S/C9H11ClN4O3/c10-5-6(12-9(17)13-7(5)15)8(16)14-3-1-11-2-4-14/h11H,1-4H2,(H2,12,13,15,17)
InChIKeyXCCCPWDICFVJAH-UHFFFAOYSA-N
MW258.66 g/mol
LogP-1.24
Rot. Bonds1

About 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 82512056) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.66 g/mol. Its IUPAC name is 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID82512056
Molecular FormulaC9H11ClN4O3
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1[nH]c(=O)[nH]c(=O)c1Cl)N1CCNCC1
InChIInChI=1S/C9H11ClN4O3/c10-5-6(12-9(17)13-7(5)15)8(16)14-3-1-11-2-4-14/h11H,1-4H2,(H2,12,13,15,17)
InChIKeyXCCCPWDICFVJAH-UHFFFAOYSA-N
XLogP-1.24
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-6-sulfanylidene-1H-pyridin-2-yl)-piperazin-1-ylmethanone
CID 82512043
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
CID 167527770
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
1,4-diazepan-1-yl-(2,6-dichlorophenyl)methanone;hydrochloride
CID 119417664
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
CID 175890901
(2-chlorocyclopenten-1-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130710903
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 56875311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 82512056) is 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1[nH]c(=O)[nH]c(=O)c1Cl)N1CCNCC1.
What is the InChIKey of 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is XCCCPWDICFVJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c10-5-6(12-9(17)13-7(5)15)8(16)14-3-1-11-2-4-14/h11H,1-4H2,(H2,12,13,15,17).
What are the key properties of 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 258.66 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 82512056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).