N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide

C19H17F4N5O2 — CID 70234798

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cccc(NC(=O)c3ncc(C(F)(F)F)cc3F)c2)N=C1N
InChIInChI=1S/C19H17F4N5O2/c1-18(8-14(29)28(2)17(24)27-18)10-4-3-5-12(6-10)26-16(30)15-13(20)7-11(9-25-15)19(21,22)23/h3-7,9H,8H2,1-2H3,(H2,24,27)(H,26,30)
InChIKeyCGUHQSMZYPLDTO-UHFFFAOYSA-N
MW423.37 g/mol
LogP2.88
Rot. Bonds3

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 70234798) has the molecular formula C19H17F4N5O2 and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID70234798
Molecular FormulaC19H17F4N5O2
Molecular Weight423.37 g/mol
Exact Mass423.13
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cccc(NC(=O)c3ncc(C(F)(F)F)cc3F)c2)N=C1N
InChIInChI=1S/C19H17F4N5O2/c1-18(8-14(29)28(2)17(24)27-18)10-4-3-5-12(6-10)26-16(30)15-13(20)7-11(9-25-15)19(21,22)23/h3-7,9H,8H2,1-2H3,(H2,24,27)(H,26,30)
InChIKeyCGUHQSMZYPLDTO-UHFFFAOYSA-N
XLogP2.88
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide (CID 70234798) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide is CN1C(=O)CC(C)(c2cccc(NC(=O)c3ncc(C(F)(F)F)cc3F)c2)N=C1N.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CGUHQSMZYPLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O2/c1-18(8-14(29)28(2)17(24)27-18)10-4-3-5-12(6-10)26-16(30)15-13(20)7-11(9-25-15)19(21,22)23/h3-7,9H,8H2,1-2H3,(H2,24,27)(H,26,30).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 70234798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).