9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C22H13F3N6O2 — CID 73438268

IUPAC9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C22H13F3N6O2/c1-11-26-8-12(9-27-11)16-5-6-17-18(29-16)19-15(10-28-17)20(32)30-21(33)31(19)14-4-2-3-13(7-14)22(23,24)25/h2-10H,1H3,(H,30,32,33)
InChIKeyPSCPPXULZKSKRL-UHFFFAOYSA-N
MW450.38 g/mol
LogP3.41
Rot. Bonds2

About 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438268) has the molecular formula C22H13F3N6O2 and a molecular weight of 450.38 g/mol. Its IUPAC name is 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438268
Molecular FormulaC22H13F3N6O2
Molecular Weight450.38 g/mol
Exact Mass450.11
IUPAC Name9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C22H13F3N6O2/c1-11-26-8-12(9-27-11)16-5-6-17-18(29-16)19-15(10-28-17)20(32)30-21(33)31(19)14-4-2-3-13(7-14)22(23,24)25/h2-10H,1H3,(H,30,32,33)
InChIKeyPSCPPXULZKSKRL-UHFFFAOYSA-N
XLogP3.41
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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3-amino-N-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
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CID 77107458
4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438268) is 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is Cc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is PSCPPXULZKSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N6O2/c1-11-26-8-12(9-27-11)16-5-6-17-18(29-16)19-15(10-28-17)20(32)30-21(33)31(19)14-4-2-3-13(7-14)22(23,24)25/h2-10H,1H3,(H,30,32,33).
What are the key properties of 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 450.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).