4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one

C10H6ClF3N4O — CID 1475958

IUPAC4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one
SMILESNc1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1
InChIInChI=1S/C10H6ClF3N4O/c11-6-3-5(10(12,13)14)4-16-8(6)18-2-1-7(15)17-9(18)19/h1-4H,(H2,15,17,19)
InChIKeyYUVWQGAGIKXRRG-UHFFFAOYSA-N
MW290.63 g/mol
LogP1.88
Rot. Bonds1

About 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one

4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one (PubChem CID 1475958) has the molecular formula C10H6ClF3N4O and a molecular weight of 290.63 g/mol. Its IUPAC name is 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one
PubChem CID1475958
Molecular FormulaC10H6ClF3N4O
Molecular Weight290.63 g/mol
Exact Mass290.02
IUPAC Name4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one
SMILESNc1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1
InChIInChI=1S/C10H6ClF3N4O/c11-6-3-5(10(12,13)14)4-16-8(6)18-2-1-7(15)17-9(18)19/h1-4H,(H2,15,17,19)
InChIKeyYUVWQGAGIKXRRG-UHFFFAOYSA-N
XLogP1.88
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one (CID 1475958) is 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one is Nc1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one?
The InChIKey is YUVWQGAGIKXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4O/c11-6-3-5(10(12,13)14)4-16-8(6)18-2-1-7(15)17-9(18)19/h1-4H,(H2,15,17,19).
What are the key properties of 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one?
4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one has a molecular weight of 290.63 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-one is sourced from PubChem (CID 1475958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).