6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one

C14H9ClF3N5O2 — CID 177168763

IUPAC6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
SMILESCn1cc(-c2nc(Cl)nc3c(=O)n(C)c(C(F)(F)F)nc23)ccc1=O
InChIInChI=1S/C14H9ClF3N5O2/c1-22-5-6(3-4-7(22)24)8-9-10(21-13(15)20-8)11(25)23(2)12(19-9)14(16,17)18/h3-5H,1-2H3
InChIKeyUIUIZJAZQQSLNY-UHFFFAOYSA-N
MW371.71 g/mol
LogP1.76
Rot. Bonds1

About 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one

6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one (PubChem CID 177168763) has the molecular formula C14H9ClF3N5O2 and a molecular weight of 371.71 g/mol. Its IUPAC name is 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
PubChem CID177168763
Molecular FormulaC14H9ClF3N5O2
Molecular Weight371.71 g/mol
Exact Mass371.04
IUPAC Name6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
SMILESCn1cc(-c2nc(Cl)nc3c(=O)n(C)c(C(F)(F)F)nc23)ccc1=O
InChIInChI=1S/C14H9ClF3N5O2/c1-22-5-6(3-4-7(22)24)8-9-10(21-13(15)20-8)11(25)23(2)12(19-9)14(16,17)18/h3-5H,1-2H3
InChIKeyUIUIZJAZQQSLNY-UHFFFAOYSA-N
XLogP1.76
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one (CID 177168763) is 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one is Cn1cc(-c2nc(Cl)nc3c(=O)n(C)c(C(F)(F)F)nc23)ccc1=O.
What is the InChIKey of 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one?
The InChIKey is UIUIZJAZQQSLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5O2/c1-22-5-6(3-4-7(22)24)8-9-10(21-13(15)20-8)11(25)23(2)12(19-9)14(16,17)18/h3-5H,1-2H3.
What are the key properties of 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one?
6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 371.71 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-8-(1-methyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 177168763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).