6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

C19H17F3N4O — CID 71163877

IUPAC6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCc1cc(NCCc2cc(C)[nH]c(=O)c2)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C19H17F3N4O/c1-10-5-12(7-18(27)24-10)3-4-23-17-6-11(2)25-19(26-17)13-8-15(21)16(22)9-14(13)20/h5-9H,3-4H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyIZHUDNTURDVRBD-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.52
Rot. Bonds5

About 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 71163877) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID71163877
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCc1cc(NCCc2cc(C)[nH]c(=O)c2)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C19H17F3N4O/c1-10-5-12(7-18(27)24-10)3-4-23-17-6-11(2)25-19(26-17)13-8-15(21)16(22)9-14(13)20/h5-9H,3-4H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyIZHUDNTURDVRBD-UHFFFAOYSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (CID 71163877) is 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is Cc1cc(NCCc2cc(C)[nH]c(=O)c2)nc(-c2cc(F)c(F)cc2F)n1.
What is the InChIKey of 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is IZHUDNTURDVRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-10-5-12(7-18(27)24-10)3-4-23-17-6-11(2)25-19(26-17)13-8-15(21)16(22)9-14(13)20/h5-9H,3-4H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 374.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-[[6-methyl-2-(2,4,5-trifluorophenyl)pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 71163877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).