2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide

C12H10F3N3O3 — CID 72870071

IUPAC2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(c2ccco2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H10F3N3O3/c1-6-16-5-7(10(19)17-6)11(20)18-9(12(13,14)15)8-3-2-4-21-8/h2-5,9H,1H3,(H,18,20)(H,16,17,19)
InChIKeyKIZJNMQZLMYMFU-UHFFFAOYSA-N
MW301.22 g/mol
LogP1.70
Rot. Bonds3

About 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 72870071) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID72870071
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(c2ccco2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H10F3N3O3/c1-6-16-5-7(10(19)17-6)11(20)18-9(12(13,14)15)8-3-2-4-21-8/h2-5,9H,1H3,(H,18,20)(H,16,17,19)
InChIKeyKIZJNMQZLMYMFU-UHFFFAOYSA-N
XLogP1.70
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 72870071) is 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC(c2ccco2)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is KIZJNMQZLMYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-6-16-5-7(10(19)17-6)11(20)18-9(12(13,14)15)8-3-2-4-21-8/h2-5,9H,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72870071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).