5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione

C10H11ClN4O2 — CID 103744967

IUPAC5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESCn1cc(CCn2cc(Cl)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H11ClN4O2/c1-14-5-7(4-12-14)2-3-15-6-8(11)9(16)13-10(15)17/h4-6H,2-3H2,1H3,(H,13,16,17)
InChIKeyGXJCSRJXHZSUQM-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.17
Rot. Bonds3

About 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 103744967) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
PubChem CID103744967
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESCn1cc(CCn2cc(Cl)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C10H11ClN4O2/c1-14-5-7(4-12-14)2-3-15-6-8(11)9(16)13-10(15)17/h4-6H,2-3H2,1H3,(H,13,16,17)
InChIKeyGXJCSRJXHZSUQM-UHFFFAOYSA-N
XLogP0.17
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-dione
CID 66425170
5-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrimidine-2,4-dione
CID 66424176
5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione
CID 66424593
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 66424777
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 66423392
6-chloro-2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-one
CID 103013456
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
5-chloro-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione
CID 66425383
2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
CID 103000398
4-chloro-3-[2-(1-methylpyrazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 80688561

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione (CID 103744967) is 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione is Cn1cc(CCn2cc(Cl)c(=O)[nH]c2=O)cn1.
What is the InChIKey of 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is GXJCSRJXHZSUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-14-5-7(4-12-14)2-3-15-6-8(11)9(16)13-10(15)17/h4-6H,2-3H2,1H3,(H,13,16,17).
What are the key properties of 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 254.68 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103744967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).