3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione

C15H8ClF2N7O2 — CID 178058770

IUPAC3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(-c2cncc(Cl)n2)c(=O)c1-n1nnc2cc(F)c(F)cc21
InChIInChI=1S/C15H8ClF2N7O2/c1-6-13(25-10-3-8(18)7(17)2-9(10)22-23-25)14(26)24(15(27)20-6)12-5-19-4-11(16)21-12/h2-5H,1H3,(H,20,27)
InChIKeyJCYQSZKBFXWIPM-UHFFFAOYSA-N
MW391.73 g/mol
LogP1.29
Rot. Bonds2

About 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione

3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 178058770) has the molecular formula C15H8ClF2N7O2 and a molecular weight of 391.73 g/mol. Its IUPAC name is 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID178058770
Molecular FormulaC15H8ClF2N7O2
Molecular Weight391.73 g/mol
Exact Mass391.04
IUPAC Name3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(-c2cncc(Cl)n2)c(=O)c1-n1nnc2cc(F)c(F)cc21
InChIInChI=1S/C15H8ClF2N7O2/c1-6-13(25-10-3-8(18)7(17)2-9(10)22-23-25)14(26)24(15(27)20-6)12-5-19-4-11(16)21-12/h2-5H,1H3,(H,20,27)
InChIKeyJCYQSZKBFXWIPM-UHFFFAOYSA-N
XLogP1.29
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.73
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione (CID 178058770) is 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(-c2cncc(Cl)n2)c(=O)c1-n1nnc2cc(F)c(F)cc21.
What is the InChIKey of 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JCYQSZKBFXWIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N7O2/c1-6-13(25-10-3-8(18)7(17)2-9(10)22-23-25)14(26)24(15(27)20-6)12-5-19-4-11(16)21-12/h2-5H,1H3,(H,20,27).
What are the key properties of 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione?
3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 391.73 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrazin-2-yl)-5-(5,6-difluorobenzotriazol-1-yl)-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 178058770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).