6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione

C10H10ClFN4O3 — CID 114256777

IUPAC6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cc(Cn2c(=O)[nH]c(Cl)c(F)c2=O)nn1C
InChIInChI=1S/C10H10ClFN4O3/c1-15-6(19-2)3-5(14-15)4-16-9(17)7(12)8(11)13-10(16)18/h3H,4H2,1-2H3,(H,13,18)
InChIKeyQSHUJWTZJDRXDR-UHFFFAOYSA-N
MW288.67 g/mol
LogP0.12
Rot. Bonds3

About 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione

6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 114256777) has the molecular formula C10H10ClFN4O3 and a molecular weight of 288.67 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID114256777
Molecular FormulaC10H10ClFN4O3
Molecular Weight288.67 g/mol
Exact Mass288.04
IUPAC Name6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cc(Cn2c(=O)[nH]c(Cl)c(F)c2=O)nn1C
InChIInChI=1S/C10H10ClFN4O3/c1-15-6(19-2)3-5(14-15)4-16-9(17)7(12)8(11)13-10(16)18/h3H,4H2,1-2H3,(H,13,18)
InChIKeyQSHUJWTZJDRXDR-UHFFFAOYSA-N
XLogP0.12
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.67
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
N-[(3-methoxy-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
CID 126517730
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497699
N-[(1-ethyl-5-methoxypyrazol-3-yl)methyl]-N-propylacetamide
CID 156637728
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide
CID 171522969
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide;molecular hydrogen
CID 171523309
N-(2-aminoethyl)-N'-[(5-methoxy-1-methylpyrazol-3-yl)methyl]oxamide
CID 114255301
1,1-Diethyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
CID 114255726
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 114255728
1-Tert-butyl-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]urea
CID 114255729
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764
1-[2-[(5-Methoxy-1-methylpyrazol-3-yl)methylamino]ethyl]imidazolidin-2-one
CID 114255765

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione (CID 114256777) is 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione is COc1cc(Cn2c(=O)[nH]c(Cl)c(F)c2=O)nn1C.
What is the InChIKey of 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QSHUJWTZJDRXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O3/c1-15-6(19-2)3-5(14-15)4-16-9(17)7(12)8(11)13-10(16)18/h3H,4H2,1-2H3,(H,13,18).
What are the key properties of 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 288.67 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114256777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).