5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione

C11H13ClN4O2 — CID 66425565

IUPAC5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCCn1nc(C)cc1Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H13ClN4O2/c1-3-16-8(4-7(2)14-16)5-15-6-9(12)10(17)13-11(15)18/h4,6H,3,5H2,1-2H3,(H,13,17,18)
InChIKeyOIGXURZEQJMCIZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.76
Rot. Bonds3

About 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione

5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66425565) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID66425565
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCCn1nc(C)cc1Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C11H13ClN4O2/c1-3-16-8(4-7(2)14-16)5-15-6-9(12)10(17)13-11(15)18/h4,6H,3,5H2,1-2H3,(H,13,17,18)
InChIKeyOIGXURZEQJMCIZ-UHFFFAOYSA-N
XLogP0.76
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66425177
5-amino-3-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 80501801
5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione
CID 66424788
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 66425155
5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione
CID 66424374
5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106994229
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
1-[(5-amino-2-methoxyphenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 66423554
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one
CID 113431479
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 96521595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (CID 66425565) is 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is CCn1nc(C)cc1Cn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is OIGXURZEQJMCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-3-16-8(4-7(2)14-16)5-15-6-9(12)10(17)13-11(15)18/h4,6H,3,5H2,1-2H3,(H,13,17,18).
What are the key properties of 5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 268.70 g/mol, XLogP of 0.76, 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-ethyl-5-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66425565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).