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

C11H13ClN4O2 — CID 113404737

IUPAC6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1nn(C)cc1Cn1c(=O)cc(Cl)[nH]c1=O
InChIInChI=1S/C11H13ClN4O2/c1-3-8-7(5-15(2)14-8)6-16-10(17)4-9(12)13-11(16)18/h4-5H,3,6H2,1-2H3,(H,13,18)
InChIKeySYPZDLSLBSMJCE-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.53
Rot. Bonds3

About 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione

6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 113404737) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID113404737
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1nn(C)cc1Cn1c(=O)cc(Cl)[nH]c1=O
InChIInChI=1S/C11H13ClN4O2/c1-3-8-7(5-15(2)14-8)6-16-10(17)4-9(12)13-11(16)18/h4-5H,3,6H2,1-2H3,(H,13,18)
InChIKeySYPZDLSLBSMJCE-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112672331
2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115991774
4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 112670972
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714626
6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 115887019
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-iodobenzimidazol-2-amine
CID 115990863
2-[5-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 115991383
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 112668716

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione (CID 113404737) is 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is CCc1nn(C)cc1Cn1c(=O)cc(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SYPZDLSLBSMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-3-8-7(5-15(2)14-8)6-16-10(17)4-9(12)13-11(16)18/h4-5H,3,6H2,1-2H3,(H,13,18).
What are the key properties of 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione?
6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 268.70 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).